SCHEMBL4422388

SCHEMBL4422388

C=Cc1nc(SC)nc(-c2cccc(OC)c2)c1C#N

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.57
MAPT P10636 1/20 0.57
ADORA1 P30542 6/20 0.53
ADORA2A P29274 5/20 0.53
ADORA2B P29275 3/20 0.53
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 1/20 0.47
KDM1A O60341 1/20 0.44
LMNA P02545 2/20 0.44
DCUN1D1 Q96GG9 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
SQOR Q9Y6N5 1/20 0.42
LHCGR P22888 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
SCHEMBL7138667 0.94 RXFP1 (0.52) RXFP1MAPTADORA1ADORA2AADORA2B
SCHEMBL18893661 0.82 RXFP1 (0.67) RXFP1MAPTADORA1ADORA2AADORA2B
SCHEMBL4421002 0.82 RXFP1 (0.61) RXFP1MAPTADORA1ADORA2AADORA2B
SCHEMBL4420483 0.82 RXFP1 (0.61) RXFP1MAPTADORA1ADORA2AADORA2B
SCHEMBL4426366 0.79 MYC (0.43) RXFP1MAPTMEN1KMT2ALMNA
SCHEMBL6441069 0.73 RXFP1 (1.00) RXFP1MAPTADORA1ADORA2AADORA2B
SCHEMBL6215257 0.71 HPGD (0.73) RXFP1MAPTHPGDHTTMEN1
SCHEMBL4419193 0.70 RXFP1 (0.47) RXFP1MAPTADORA1ADORA2AADORA2B
SCHEMBL15286427 0.69 ADORA1 (0.67) RXFP1MAPTADORA1ADORA2AADORA2B
SCHEMBL15286448 0.69 ADORA1 (0.67) RXFP1MAPTADORA1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618963-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2009-11-17 US disclosed
EP-1886999-A2 Bicyclic heteroaromatic compound N.V. Organon (NL) 2008-02-13 EP disclosed
US-20070197527-A1 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-08-23 US disclosed
US-7229990-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-06-12 US disclosed
CN-1247594-C Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2006-03-29 CN disclosed
CN-1462273-A Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2003-12-17 CN disclosed
US-20030225113-A1 Bicyclic heteroaromatic compounds MERCK SHARP & DOHME B.V. (NL) 2003-12-04 US disclosed
EP-1322651-A1 BICYCLIC HETEROAROMATIC COMPOUNDS Akzo Nobel N.V. (NL) 2003-07-02 EP disclosed
WO-2002024703-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AKZO NOBEL N.V. (NL) 2002-03-28 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 (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-20030225113-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR RXFP1 1120/4885MAPT 4796/4885ADORA1 570/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR RXFP1 787/4885MAPT 4807/4885ADORA1 660/4885

“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.