SCHEMBL4910753

SCHEMBL4910753

CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2Nc2ccccc2)N2CC(C)(C)CN=C12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 17/20 1.00
▸ PDE2A O00408 2/20 0.61
▸ PDE8A O60658 2/20 0.61
▸ PDE5A O76074 2/20 0.61
▸ PDE3B Q13370 2/20 0.61
▸ PDE11A Q9HCR9 2/20 0.61
▸ PDE7B Q9NP56 2/20 0.61
▸ PDE10A Q9Y233 2/20 0.61
▸ PDE1A P54750 3/20 0.53
▸ PDE9A O76083 1/20 0.51

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
SCHEMBL8251324 0.85 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL4921416 0.80 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL8060117 0.79 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL4919288 0.79 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL4922144 0.78 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL18745384 0.78 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL4920743 0.75 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL19134017 0.75 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL16705442 0.74 PDE4A (0.59) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL798721 0.74 PDE4A (0.59) PDE4APDE2APDE8APDE5APDE3B

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 34 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-9000001-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-04-07 — — US claimed
US-20130018063-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2013-01-17 — — 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-20200375994-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2020-12-03 — — US disclosed
US-10682355-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2020-06-16 — — US disclosed
US-20190192519-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2019-06-27 — — US disclosed
US-10183023-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2019-01-22 — — US disclosed
EP-1888534-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2017-07-26 — — EP disclosed
EP-1888534-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2017-07-26 — — EP disclosed
US-20170128453-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2017-05-11 — — US 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
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 (8 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-10682355-B2 Uses CNTN1, BDNF, SMPD1 PDE4A 44/4885PDE2A 9/4885PDE8A 299/4885
US-10183023-B2 Uses CNTN1, BDNF, SMPD1 PDE4A 44/4885PDE2A 9/4885PDE8A 299/4885
US-20170128453-A1 NOVEL USES BDNF, CNTN1, DCX PDE4A 27/4885PDE2A 14/4885PDE8A 215/4885
US-20150197528-A1 ORGANIC COMPOUNDS PDE3A, PDE9A, PDE2A PDE4A 6/4885PDE2A 3/4885PDE8A 25/4885
US-20190192519-A1 NOVEL USES BDNF, CNTN1, DCX PDE4A 27/4885PDE2A 14/4885PDE8A 215/4885
US-20130018063-A1 ORGANIC COMPOUNDS PDE9A, PDE3A, PDE7A PDE4A 6/4885PDE2A 7/4885PDE8A 25/4885
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 8/4885PDE2A 6/4885PDE8A 20/4885
US-20200375994-A1 NOVEL USES BDNF, CNTN1, DCX PDE4A 27/4885PDE2A 14/4885PDE8A 215/4885

“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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