SCHEMBL4419064

SCHEMBL4419064

NC(=O)c1sc2nc(-c3ccccc3)nc(-c3cccc(N)c3)c2c1N

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.64
PDE4A P27815 8/20 0.64
PDE4B Q07343 8/20 0.64
PDE4C Q08493 8/20 0.64
PDE4D Q08499 8/20 0.64
IKBKB O14920 1/20 0.55
LIMK1 P53667 4/20 0.53
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL5030909 0.92 BRAF (0.61) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4427626 0.92 BRAF (0.54) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL5026126 0.86 BRAF (0.59) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL5026167 0.85 BRAF (0.51) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL5026165 0.85 LIMK1 (0.60) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4418734 0.84 KDM4E (0.62) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL5026098 0.84 LHCGR (0.62) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4421145 0.82 BRAF (0.62) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL5024685 0.82 BRAF (0.58) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4423554 0.82 BRAF (0.58) 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 10 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
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
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-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
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
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 (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-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-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.