SCHEMBL4419271

SCHEMBL4419271

COc1cccc(-c2nc(C)nc3sc(C(O)=S)c(N)c23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 3/20 0.53
BRAF P15056 1/20 0.53
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
TSHR P16473 1/20 0.52
MAPT P10636 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
ADORA2A P29274 4/20 0.43
LIMK1 P53667 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRM4 P08173 1/20 0.42
ADORA1 P30542 3/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 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
SCHEMBL5025976 0.87 BRAF (0.49) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL4432076 0.87 LHCGR (0.50) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL6217395 0.86 LIMK1 (0.46) MAPTLIMK1KDM4EALDH1A1MAPK1
SCHEMBL6219075 0.86 MEN1 (0.46) MAPTADORA2ALIMK1KDM4EALDH1A1
SCHEMBL6427027 0.86 BRAF (0.51) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL6930944 0.86 BRAF (0.51) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL6216817 0.79 ALDH1A1 (0.48) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL4909708 0.78 BRAF (0.52) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL6215221 0.78 IKBKB (0.47) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL6217543 0.77 SMN1; SMN2 (0.44) LHCGRBRAFPDE4APDE4BPDE4C

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 8 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
EP-1322651-B1 BICYCLIC HETEROAROMATIC COMPOUNDS ORGANON NV (NL) 2008-01-23 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

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 LHCGR 13/4885BRAF 4474/4885PDE4A 1417/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 10/4885BRAF 4242/4885PDE4A 1703/4885

“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.