SCHEMBL4922149

SCHEMBL4922149

CN1C(=O)c2c(N(Cc3ccc(-c4ccccc4)cc3)c3ccccc3)nn(Cc3ccc(-c4ccccc4)cc3)c2N2CC(C)(C)N=C12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 9/20 0.46
▸ PDE1A P54750 7/20 0.45
▸ PDE1B Q01064 4/20 0.45
▸ P2RX7 Q99572 3/20 0.42
▸ PDE5A O76074 2/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ PDE8A O60658 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE11A Q9HCR9 1/20 0.37
▸ PDE7B Q9NP56 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37

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
SCHEMBL20661654 0.82 PDE4A (0.41) PDE4APDE1APDE1BPDE5APDE2A
SCHEMBL4916725 0.80 PDE4A (0.56) PDE4APDE1APDE1BP2RX7PDE5A
SCHEMBL19158000 0.77 PDE1A (0.36) PDE4APDE1APDE1BP2RX7PDE5A
SCHEMBL4919936 0.74 PDE1A (0.56) PDE4APDE1APDE1BPDE5APDE4B
SCHEMBL4914890 0.70 PDE4A (0.45) PDE4APDE1APDE1BPDE5APDE2A
SCHEMBL18380649 0.70 PDE4A (0.45) PDE4APDE1APDE1BPDE5APDE2A
SCHEMBL22096333 0.70 PDE4A (0.50) PDE4APDE1APDE1BPDE5APDE4B
SCHEMBL4925794 0.69 PDE1A (0.47) PDE4APDE1APDE1BP2RX7PDE5A
SCHEMBL17610000 0.67 PDE1A (0.62) PDE4APDE1APDE1BPDE5APDE2A
SCHEMBL19158604 0.66 PDE4A (0.36) PDE4APDE1APDE1BP2RX7PDE5A

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 31 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
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-20170128453-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2017-05-11 — — US disclosed
US-9624230-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2017-04-18 — — US disclosed
US-20130018063-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2013-01-17 — — 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

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-10682355-B2 Uses CNTN1, BDNF, SMPD1 PDE4A 44/4885PDE1A 35/4885PDE1B 52/4885
US-20170128453-A1 NOVEL USES BDNF, CNTN1, DCX PDE4A 27/4885PDE1A 12/4885PDE1B 15/4885
US-20150197528-A1 ORGANIC COMPOUNDS PDE3A, PDE9A, PDE2A PDE4A 6/4885PDE1A 16/4885PDE1B 18/4885
US-20190192519-A1 NOVEL USES BDNF, CNTN1, DCX PDE4A 27/4885PDE1A 12/4885PDE1B 15/4885
US-20130018063-A1 ORGANIC COMPOUNDS PDE9A, PDE3A, PDE7A PDE4A 6/4885PDE1A 15/4885PDE1B 19/4885
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 8/4885PDE1A 18/4885PDE1B 24/4885
US-20200375994-A1 NOVEL USES BDNF, CNTN1, DCX PDE4A 27/4885PDE1A 12/4885PDE1B 15/4885

“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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