SCHEMBL4432076

SCHEMBL4432076

CCOC(=S)c1sc2nc(C)nc(-c3cccc(OC)c3)c2c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 3/20 0.50
BRAF P15056 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
TSHR P16473 1/20 0.49
ALDH1A1 P00352 6/20 0.43
MAPT P10636 6/20 0.43
KDM4E B2RXH2 5/20 0.43
GAA P10253 3/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 5/20 0.42
HSD17B10 Q99714 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
CHRM4 P08173 1/20 0.41
CACNA2D1 P54289 1/20 0.40
RCE1 Q9Y256 1/20 0.40

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
SCHEMBL5025998 0.90 BRAF (0.46) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL6217543 0.89 SMN1; SMN2 (0.44) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL6217503 0.89 BRAF (0.42) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL6216809 0.88 MAPT (0.43) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL6214501 0.87 MAPT (0.49) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL4419271 0.87 LHCGR (0.53) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL6216687 0.87 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL6217044 0.86 LHCGR (0.42) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL6930944 0.86 BRAF (0.51) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL4427614 0.84 MAPT (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1

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 12 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
EP-1171443-B1 BICYCLIC HETEROAROMATIC COMPOUNDS USEFUL AS LH AGONISTS AKZO NOBEL NV (NL) 2005-07-13 EP disclosed
US-6841553-B2 Bicyclic heteroaromatic compounds useful as LH agonists AKZO NOBEL N.V. (NL) 2005-01-11 US 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
US-20030212081-A1 Bicyclic heteroaromatic compounds useful as LH agonists MERCK SHARP & DOHME B.V. (NL) 2003-11-13 US disclosed
US-6569863-B1 Luteinizing hormone (LH) agonists for controlling fertility AKZO NOBEL NV (NL) 2003-05-27 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 (3 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-20030212081-A1 Bicyclic heteroaromatic compounds useful as LH agonists LHCGR, GNRHR, FSHR LHCGR 1/4885BRAF 4753/4885PDE4A 525/4885
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.