SCHEMBL5712840

SCHEMBL5712840

Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCN(Cc1ccccc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.76
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
LMNA P02545 1/20 0.66
MAPT P10636 1/20 0.66
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
PTPN2 P17706 1/20 0.57
PTPN1 P18031 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.56
PPARG P37231 1/20 0.56
NR2E3 Q9Y5X4 1/20 0.56
NCOR2 Q9Y618 1/20 0.56

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
SCHEMBL5506528 0.91 GAA (0.66) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL138362 0.90 ADORA1 (0.74) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL7001243 0.90 ADORA1 (0.70) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL5508041 0.89 MEN1 (0.62) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL6993348 0.89 ADORA1 (0.71) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL5675440 0.88 ADORA1 (0.61) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL6998249 0.88 ADORA1 (0.70) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL5678867 0.86 ADORA1 (0.71) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL1787090 0.86 ADORA1 (1.00) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL6992778 0.86 ADORA1 (0.67) ADORA1MEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6177444-B1 ANTIISCHEMIC AGENTS; ANTIARRHYTHMIA AGENTS MEDCO CORP. 2001-01-23 US claimed
EP-1025106-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS Medco Research, Inc. (US) 2000-08-09 EP claimed
WO-1999021617-B1 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS MEDCO RES INC (US) 1999-09-10 WO claimed
WO-1999021617-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS MEDCO RESEARCH, INC. (US) 1999-05-06 WO claimed
EP-1671973-A2 Allosteric adenosine receptor modulators King Pharmaceuticals Research and Development, Inc. (US) 2006-06-21 EP disclosed
EP-1025106-B1 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-06-21 EP disclosed
EP-1087977-B1 THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 EP disclosed
US-6323214-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS AND ANALGESICS MEDCO RESEARCH, INC 2001-11-27 US disclosed
US-6214838-B1 WHICH ARE STABLE TO METABOLISM BY THE BODY AND EXHIBITS ANTI-INFLAMMATORY ACTIVITY, BONE RESORPTION INHIBITORY ACTIVITY AND ACTIVITY IN INHIBITING PRODUCTION OF IMMUNOCYTOKINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-10 US disclosed
EP-1087977-A1 THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-04-04 EP disclosed
US-6194449-B1 ADMINISTERING A BENZOYLTHIOPHENE COMPOUND; ANTIHYPOXIC, ANTIISCHEMIC AGENTS MEDCO CORP. 2001-02-27 US disclosed
US-6177444-B1 ANTIISCHEMIC AGENTS; ANTIARRHYTHMIA AGENTS MEDCO CORP. 2001-01-23 US disclosed
EP-1025106-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS Medco Research, Inc. (US) 2000-08-09 EP disclosed
WO-1999065916-A1 THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-23 WO disclosed
US-5939432-A Thiophenes useful for modulating the adenosine receptor MEDCO RESEARCH, INC. (US) 1999-08-17 US disclosed
WO-1999021617-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS MEDCO RESEARCH, INC. (US) 1999-05-06 WO disclosed