SCHEMBL6455853

SCHEMBL6455853

Nc1nccc2ccsc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
ADORA2A P29274 4/20 0.43
ADORA1 P30542 3/20 0.43
NOS3 P29474 3/20 0.42
NOS2 P35228 3/20 0.42
NOS1 P29475 2/20 0.42
F12 P00748 1/20 0.42
PLAU P00749 1/20 0.42
NCF1 P14598 1/20 0.42
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DYRK1A Q13627 2/20 0.40
KDM4E B2RXH2 1/20 0.39
LIMK1 P53667 3/20 0.35
ROCK1 Q13464 2/20 0.35
AURKA O14965 2/20 0.35
KDR P35968 2/20 0.35
AURKB Q96GD4 2/20 0.35

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
SCHEMBL22323360 0.74 SPR (0.36) HSP90AA1ADORA2AADORA1NOS1ALDH1A1
SCHEMBL15391120 0.74 HSP90AA1 (0.36) HSP90AA1ADORA2AADORA1NOS1ALDH1A1
SCHEMBL368657 0.74 CYP2A6 (0.42) HSP90AA1ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL660369 0.74 AXL (0.48) HSP90AA1ADORA2AADORA1DYRK1ACYP2A6
SCHEMBL32691515 0.74 SPR (0.36) HSP90AA1ADORA2AADORA1NOS1ALDH1A1
SCHEMBL29377266 0.74 AXL (0.48) HSP90AA1ADORA2AADORA1DYRK1ACYP2A6
SCHEMBL20265450 0.74 ADORA2A (0.33) HSP90AA1ADORA2AADORA1NOS1ALDH1A1
SCHEMBL8016628 0.74 PDE3B (0.39) HSP90AA1ADORA2AADORA1ALDH1A1DYRK1A
SCHEMBL29494911 0.71 BRAF (0.38) ADORA2AADORA1ALDH1A1LIMK1CYP2A6
SCHEMBL369046 0.71 BRAF (0.38) ADORA2AADORA1ALDH1A1LIMK1CYP2A6

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 US claimed
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 US disclosed
WO-2014035829-A1 SUBSTITUTED 3-AMINOTHIENO[2,3-C]PYRIDINE-2-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS VANDERBILT UNIVERSITY (US) 2014-03-06 WO disclosed
WO-2013052394-A1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-04-11 WO disclosed
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed
US-6103736-A SHOWING AN INHIBITORY ACTION ON GASTRIC ACID SECRETION AND A PROTECTIVE ACTION OF GASTRIC MUCOSA; 2-(HETERO)ARYL-3-AMINOIMIDAZO-(2,1-A)ISOQUINOLINES; ANTIULCER AGENTS; SHINNIPPON PHARMACEUTICAL INC. (JP) 2000-08-15 US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
US-6020342-A Fused imidazo[1,2-A]pyridines SHINNIPPON PHARMACEUTICAL, INC. (JP) 2000-02-01 US disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 WO disclosed
EP-0822194-A1 FUSED IMIDAZO 1,2-a]PYRIDINES Shinnippon Pharmaceutical Inc. (JP) 1998-02-04 EP 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 (2 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-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 HSP90AA1 96/4885ADORA2A 2647/4885ADORA1 3577/4885
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 HSP90AA1 2908/4885ADORA2A 254/4885ADORA1 149/4885

“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.