SCHEMBL2767503

SCHEMBL2767503

Cc1cc(N)ncc1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.56
NOS2 P35228 3/20 0.56
NOS1 P29475 3/20 0.56
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
CSNK1A1 P48729 1/20 0.41

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
SCHEMBL18031200 0.83 NOS3 (0.56) NOS3NOS2NOS1GABRPGABRD
SCHEMBL16668748 0.80 CSNK1A1 (0.45) NOS3NOS2NOS1CSNK1A1CLK4
SCHEMBL503132 0.79 NOS3 (0.56) NOS3NOS2NOS1GABRPGABRD
SCHEMBL29505699 0.78 UHRF1 (0.46) CSNK1A1CLK4KDM4ENPC1ALDH1A1
SCHEMBL317517 0.78 UHRF1 (0.46) CSNK1A1CLK4KDM4ENPC1ALDH1A1
SCHEMBL1457800 0.78 CSNK1A1 (0.44) NOS3NOS2NOS1CSNK1A1CLK4
SCHEMBL30971228 0.78 CSNK1A1 (0.44) NOS3NOS2NOS1CSNK1A1CLK4
SCHEMBL21927619 0.77 EGLN2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3826142 0.75 S1PR2 (0.37) CSNK1A1CLK4KDM4ENPC1ALDH1A1
SCHEMBL286704 0.75 S1PR2 (0.46) CSNK1A1CLK4KDM4EALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119275352-A Low-temperature electrolyte for lithium battery 大连中比动力电池有限公司 2025-01-07 CN claimed
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 WO claimed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US claimed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 WO claimed
CN-119275352-A Low-temperature electrolyte for lithium battery 大连中比动力电池有限公司 2025-01-07 CN disclosed
EP-4302830-A2 QUINAZOLINE DERIVATIVES USED TO TREAT HIV Gilead Sciences, Inc. (US) 2024-01-10 EP disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
EP-4253367-A1 NOVEL BENZAZEPINE SPIRO DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2023-10-04 EP disclosed
EP-3960735-B1 QUINAZOLINE DERIVATIVES USED TO TREAT HIV GILEAD SCIENCES INC (US) 2023-09-13 EP disclosed
US-20230043136-A1 Quinazoline Compounds INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE AS CR, V.V.I. (CZ) 2023-02-09 US disclosed
US-20230043136-A1 Quinazoline Compounds INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE AS CR, V.V.I. (CZ) 2023-02-09 US disclosed
US-11304948-B2 Quinazoline compounds GILEAD SCIENCES, INC. (US) 2022-04-19 US disclosed
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-08 US disclosed
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E (US) 2005-09-01 US disclosed
EP-1458723-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristols-Myers Squibb Company (US) 2004-09-22 EP disclosed
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2003062241-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-31 WO disclosed
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 WO disclosed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US disclosed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 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 (5 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-11304948-B2 Quinazoline compounds TTBK1, TTBK2, MAPT NOS3 1383/4885NOS2 1462/4885NOS1 1581/4885
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 NOS3 3027/4885NOS2 3214/4885NOS1 3536/4885
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 NOS3 3027/4885NOS2 3214/4885NOS1 3536/4885
US-20230043136-A1 Quinazoline Compounds TTBK1, TTBK2, MAPT NOS3 1383/4885NOS2 1462/4885NOS1 1581/4885
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 NOS3 3027/4885NOS2 3214/4885NOS1 3536/4885

“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.