SCHEMBL4919408

SCHEMBL4919408

CN1C(=O)c2c(nn(Cc3ccc(C(F)(F)F)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 20/20 1.00
▸ PDE5A O76074 5/20 1.00
▸ PDE3B Q13370 5/20 1.00
▸ PDE11A Q9HCR9 5/20 1.00
▸ PDE7B Q9NP56 5/20 1.00
▸ PDE10A Q9Y233 5/20 1.00
▸ PDE2A O00408 4/20 1.00
▸ PDE8A O60658 4/20 1.00
▸ PDE9A O76083 3/20 1.00
▸ PDE1B Q01064 1/20 0.68
▸ PDE4B Q07343 1/20 0.68
▸ PDE4C Q08493 1/20 0.68
▸ PDE4D Q08499 1/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19134013 1.00 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL18380650 0.95 PDE4A (0.91) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL3075056 0.93 PDE4A (0.88) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL8058081 0.93 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL798735 0.92 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL8046143 0.91 PDE4A (0.84) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL798734 0.91 PDE4A (0.84) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL7906661 0.91 PDE4A (0.84) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL19134017 0.90 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL17521214 0.90 PDE4A (0.87) PDE4APDE5APDE3BPDE11APDE7B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888534-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2017-07-26 — — EP claimed
US-9624230-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2017-04-18 — — US claimed
US-20150197528-A1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2015-07-16 — — US claimed
US-8273750-B2 7,8-dihydro-[1H or 2H]-imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one or 7,8,9-trihydro-[1H or 2H]-pyrimido[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one, substituted at the 1 or 2 position with C2-]alkyl, C3-9 cycloalkyl, heteroarylalkyl, or arylalkyl; phosphodiesterase 1 inhibitors; Parkinsons disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 — — US claimed
US-20080188492-A1 7,8-dihydro-[1H or 2H]-imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one or 7,8,9-trihydro-[1H or 2H]-pyrimido[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one, substituted at the 1 or 2 position with C2-]alkyl, C3-9 cycloalkyl, heteroarylalkyl, or arylalkyl; phosphodiesterase 1 inhibitors; Parkinsons disease INTRA-CELLULAR THERAPIES, INC (US) 2008-08-07 — — US claimed
US-20250339438-A1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2025-11-06 — — US disclosed
US-12396992-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2025-08-26 — — US disclosed
US-11291666-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2022-04-05 — — US disclosed
US-11291666-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2022-04-05 — — US disclosed
EP-3970719-A1 PDE1 INHIBITOR FOR USE IN A METHOD OF TREATMENT OR PROPHYLAXIS OF INFLAMMATION AND/OR AN INFLAMMATORY DISEASE OR DISORDER Intra-Cellular Therapies, Inc. (US) 2022-03-23 — — EP disclosed
US-20220072003-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2022-03-10 — — US disclosed
EP-3908285-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2021-11-17 — — EP disclosed
US-20130018063-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2013-01-17 — — US disclosed
US-8273750-B2 7,8-dihydro-[1H or 2H]-imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one or 7,8,9-trihydro-[1H or 2H]-pyrimido[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one, substituted at the 1 or 2 position with C2-]alkyl, C3-9 cycloalkyl, heteroarylalkyl, or arylalkyl; phosphodiesterase 1 inhibitors; Parkinsons disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 — — US disclosed
US-8273750-B2 7,8-dihydro-[1H or 2H]-imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one or 7,8,9-trihydro-[1H or 2H]-pyrimido[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one, substituted at the 1 or 2 position with C2-]alkyl, C3-9 cycloalkyl, heteroarylalkyl, or arylalkyl; phosphodiesterase 1 inhibitors; Parkinsons disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 — — US disclosed
US-8273750-B2 7,8-dihydro-[1H or 2H]-imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one or 7,8,9-trihydro-[1H or 2H]-pyrimido[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one, substituted at the 1 or 2 position with C2-]alkyl, C3-9 cycloalkyl, heteroarylalkyl, or arylalkyl; phosphodiesterase 1 inhibitors; Parkinsons disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 — — US disclosed
US-20080188492-A1 7,8-dihydro-[1H or 2H]-imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one or 7,8,9-trihydro-[1H or 2H]-pyrimido[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one, substituted at the 1 or 2 position with C2-]alkyl, C3-9 cycloalkyl, heteroarylalkyl, or arylalkyl; phosphodiesterase 1 inhibitors; Parkinsons disease INTRA-CELLULAR THERAPIES, INC (US) 2008-08-07 — — US disclosed
US-20080188492-A1 7,8-dihydro-[1H or 2H]-imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one or 7,8,9-trihydro-[1H or 2H]-pyrimido[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one, substituted at the 1 or 2 position with C2-]alkyl, C3-9 cycloalkyl, heteroarylalkyl, or arylalkyl; phosphodiesterase 1 inhibitors; Parkinsons disease INTRA-CELLULAR THERAPIES, INC (US) 2008-08-07 — — US disclosed
US-20080188492-A1 7,8-dihydro-[1H or 2H]-imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one or 7,8,9-trihydro-[1H or 2H]-pyrimido[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one, substituted at the 1 or 2 position with C2-]alkyl, C3-9 cycloalkyl, heteroarylalkyl, or arylalkyl; phosphodiesterase 1 inhibitors; Parkinsons disease INTRA-CELLULAR THERAPIES, INC (US) 2008-08-07 — — US disclosed
WO-2006133261-A2 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2006-12-14 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220072003-A1 ORGANIC COMPOUNDS PDCD1, CD274, PDCD1LG2 PDE4A 17/4885PDE5A 12/4885PDE3B 10/4885
US-20150197528-A1 ORGANIC COMPOUNDS PDE3A, PDE9A, PDE2A PDE4A 6/4885PDE5A 4/4885PDE3B 5/4885
US-20130018063-A1 ORGANIC COMPOUNDS PDE9A, PDE3A, PDE7A PDE4A 6/4885PDE5A 4/4885PDE3B 5/4885
US-20080188492-A1 7,8-dihydro-[1H or 2H]-imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one or 7,8,9-trihydro-[1H or 2H]-pyrimido[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one, substituted at the 1 or 2 position with C2-]alkyl, C3-9 cycloalkyl, heteroarylalkyl, or arylalkyl; phosphodiesterase 1 inhibitors; Parkinsons disease PDE9A, PDE3A, PDE7A PDE4A 8/4885PDE5A 5/4885PDE3B 7/4885
US-11291666-B2 Uses PDE2A, PDE3A, PDE5A PDE4A 4/4885PDE5A 3/4885PDE3B 5/4885
US-12396992-B2 Organic compounds PDCD1, CD274, PDCD1LG2 PDE4A 17/4885PDE5A 12/4885PDE3B 10/4885
US-20250339438-A1 ORGANIC COMPOUNDS PDCD1, CD274, PDCD1LG2 PDE4A 41/4885PDE5A 10/4885PDE3B 9/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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