SCHEMBL2535845

SCHEMBL2535845

CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-n4cncn4)cc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 9/20 0.49
PDE1A P54750 8/20 0.49
PDE1C Q14123 8/20 0.49
PDE2A O00408 5/20 0.49
SLC16A1 P53985 2/20 0.37
DPP4 P27487 1/20 0.37
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP11B2 P19099 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL13334343 0.92 PDE1B (0.42) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL2454858 0.87 PDE1A (0.48) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL2454975 0.86 PDE1B (0.51) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL9608337 0.85 PDE1B (0.48) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL9608334 0.85 PDE1B (0.52) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL2454720 0.84 PDE1B (0.50) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL2537381 0.84 PDE1B (0.45) PDE1BPDE1APDE1CPDE2ADPP4
SCHEMBL3011746 0.84 PDE1B (0.64) PDE1BPDE1APDE1CPDE2ADPP4
SCHEMBL7505214 0.84 PDE1A (0.48) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL7507537 0.83 PDE1A (0.51) PDE1BPDE1APDE1CPDE2ASLC16A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11291666-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2022-04-05 US disclosed
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-09 US disclosed
US-20210213018-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2021-07-15 US disclosed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 US disclosed
US-10398698-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-03 US disclosed
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-14 US disclosed
US-20180177782-A9 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2018-06-28 US disclosed
US-20180177782-A9 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2018-06-28 US disclosed
US-20180000825-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2018-01-04 US disclosed
EP-2367428-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2016-04-06 EP disclosed
US-20150353556-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-12-10 US disclosed
US-8927556-B2 1H-pyrrolo[3,4-D]pyrimidin-2(6H)-one compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-01-06 US disclosed
US-8927556-B2 1H-pyrrolo[3,4-D]pyrimidin-2(6H)-one compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-01-06 US disclosed
US-8927556-B2 1H-pyrrolo[3,4-D]pyrimidin-2(6H)-one compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-01-06 US disclosed
US-20120136013-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES. INC. 2012-05-31 US disclosed
US-20120136013-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES. INC. 2012-05-31 US disclosed
US-20120136013-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES. INC. 2012-05-31 US disclosed
EP-2367428-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2011-09-28 EP disclosed
WO-2010065147-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-06-10 WO disclosed
WO-2010065147-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-06-10 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 (10 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-20180000825-A1 NOVEL USES PDE2A, PDE5A, PDE3A PDE1B 21/4885PDE1A 13/4885PDE1C 23/4885
US-10398698-B2 Uses PDE5A, PDE2A, PDE3A PDE1B 29/4885PDE1A 19/4885PDE1C 28/4885
US-20150353556-A1 ORGANIC COMPOUNDS CYP2C9, TPMT, CYP2C19 PDE1B 4863/4885PDE1A 4874/4885PDE1C 4862/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A PDE1B 17/4885PDE1A 10/4885PDE1C 15/4885
US-20210213018-A1 NOVEL USES PDE2A, PDE4A, PDE1A PDE1B 8/4885PDE1A 3/4885PDE1C 16/4885
US-11291666-B2 Uses PDE2A, PDE3A, PDE5A PDE1B 13/4885PDE1A 7/4885PDE1C 16/4885
US-20120136013-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 PDE1B 4855/4885PDE1A 4874/4885PDE1C 4854/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE1B 22/4885PDE1A 13/4885PDE1C 14/4885
US-20180177782-A9 NOVEL USES PDE2A, PDE5A, PDE3A PDE1B 21/4885PDE1A 13/4885PDE1C 23/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PDE1B 21/4885PDE1A 13/4885PDE1C 19/4885

“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.