SCHEMBL5508041

SCHEMBL5508041

Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCN(CCCc1ccccc1)C2

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
ADORA1 P30542 9/20 0.60
PTPN2 P17706 2/20 0.59
PTPN1 P18031 2/20 0.59
GAA P10253 2/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50

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 0.94 GAA (0.66) MEN1KMT2AADORA1PTPN2PTPN1
SCHEMBL5712840 0.89 ADORA1 (0.76) MEN1KMT2AADORA1PTPN2PTPN1
SCHEMBL5712833 0.82 ADORA1 (0.60) MEN1KMT2AADORA1PTPN2PTPN1
SCHEMBL5505875 0.81 ADORA1 (0.63) MEN1KMT2AADORA1PTPN2PTPN1
SCHEMBL6997167 0.81 GAA (0.73) MEN1KMT2AADORA1PTPN2PTPN1
SCHEMBL7719431 0.80 GAA (0.89) MEN1KMT2AADORA1PTPN2PTPN1
SCHEMBL138362 0.80 ADORA1 (0.74) MEN1KMT2AADORA1PTPN2PTPN1
SCHEMBL7001243 0.79 ADORA1 (0.70) MEN1KMT2AADORA1GAAPOLB
SCHEMBL5712860 0.79 MEN1 (0.65) MEN1KMT2AADORA1GAAMAPT
SCHEMBL6993348 0.78 ADORA1 (0.71) MEN1KMT2AADORA1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1671973-A2 Allosteric adenosine receptor modulators King Pharmaceuticals Research and Development, Inc. (US) 2006-06-21 EP claimed
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-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS MEDCO RESEARCH, INC. (US) 1999-05-06 WO claimed
EP-1390740-A4 METHODS AND FORMULATIONS FOR INCREASING THE AFFINITY OF A 1? ADENOSINE RECEPTOR LIGANDS FOR THE A 1? ADENOSINE RECEPTOR ENDACEA INC (US) 2007-04-04 EP disclosed
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
US-20040121406-A1 Methods and formulations for increasing the affinity of a1 adenosine receptor ligands for the a1 adenosine receptor ENDACEA, INC. 2004-06-24 US disclosed
EP-1390740-A1 METHODS AND FORMULATIONS FOR INCREASING THE AFFINITY OF A 1? ADENOSINE RECEPTOR LIGANDS FOR THE A 1? ADENOSINE RECEPTOR Endacea, Inc. (US) 2004-02-25 EP disclosed
WO-2002095391-A1 METHODS AND FORMULATIONS FOR INCREASING THE AFFINITY OF A1 ADENOSINE RECEPTOR LIGANDS FOR THE A1 ADENOSINE RECEPTOR ENDACEA INC. (US) 2002-11-28 WO disclosed
US-6323214-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS AND ANALGESICS MEDCO RESEARCH, INC 2001-11-27 US 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
US-5939432-A Thiophenes useful for modulating the adenosine receptor MEDCO RESEARCH, INC. (US) 1999-08-17 US disclosed