SCHEMBL4421145

SCHEMBL4421145

CSc1nc(-c2cccc(N)c2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.62
PDE4A P27815 5/20 0.62
PDE4B Q07343 5/20 0.62
PDE4C Q08493 5/20 0.62
PDE4D Q08499 5/20 0.62
LHCGR P22888 7/20 0.62
TSHR P16473 1/20 0.60
IKBKB O14920 1/20 0.50
FSHR P23945 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
SCHEMBL5025967 0.91 LHCGR (0.62) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4421173 0.90 LHCGR (0.75) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL2132337 0.89 LHCGR (0.60) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL6217652 0.89 LIMK1 (0.58) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4430436 0.88 LHCGR (0.77) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4902878 0.86 LHCGR (0.58) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL6927090 0.86 LHCGR (0.64) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4421168 0.86 LHCGR (0.84) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4906981 0.86 LHCGR (0.56) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4431522 0.86 LHCGR (0.62) BRAFPDE4APDE4BPDE4CPDE4D

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 21 patents — showing the first 20. 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-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-7375109-B2 Glycine-substituted thieno[2,3-d]pyrimidines with combined LH and FSH agonistic activity N.V. ORGANON (NL) 2008-05-20 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-7317006-B2 Thieno[2,3-d]pyrimidines with combined LH and FSH agonistic activity N.V. ORGANON (NL) 2008-01-08 US disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
US-20070197527-A1 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-08-23 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 WO 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-1427734-B1 GLYCINE-SUBSTITUTED THIENO[2,3-d]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY AKZO NOBEL NV (NL) 2005-11-09 EP 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
US-20040180907-A1 Glycine-substituted thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity MERCK SHARP & DOHME B.V. (NL) 2004-09-16 US disclosed
US-20040180873-A1 Thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity MERCK SHARP & DOHME B.V. (NL) 2004-09-16 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 (6 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF BRAF 3/4885PDE4A 1/4885PDE4B 2/4885
US-20030212081-A1 Bicyclic heteroaromatic compounds useful as LH agonists LHCGR, GNRHR, FSHR BRAF 4753/4885PDE4A 525/4885PDE4B 676/4885
US-20030225113-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR BRAF 4474/4885PDE4A 1417/4885PDE4B 1292/4885
US-20040180907-A1 Glycine-substituted thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR BRAF 4677/4885PDE4A 638/4885PDE4B 915/4885
US-20040180873-A1 Thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR BRAF 4516/4885PDE4A 214/4885PDE4B 300/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR BRAF 4242/4885PDE4A 1703/4885PDE4B 1680/4885

“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.