SCHEMBL6180369

SCHEMBL6180369

Cc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.59
ACVR1B P36896 2/20 0.42
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL154508 0.89 TGFBR1 (0.56) TGFBR1
SCHEMBL29504110 0.89 TGFBR1 (0.56) TGFBR1
Gw679410X SCHEMBL376414 0.88 TGFBR1 (0.63) TGFBR1ACVR1BPKMNPC1
SCHEMBL373075 0.88 TGFBR1 (0.61) TGFBR1
SCHEMBL6178618 0.87 TGFBR1 (0.59) TGFBR1ACVR1B
Gw680975X SCHEMBL373303 0.87 TGFBR1 (0.59) TGFBR1ACVR1B
Gw682841X SCHEMBL412218 0.86 TGFBR1 (0.61) TGFBR1ACVR1BTP53
SCHEMBL6179634 0.86 TGFBR1 (0.47) TGFBR1ACVR1B
SCHEMBL373778 0.85 TGFBR1 (0.59) TGFBR1ACVR1BPKMKDM4ENPC1
SCHEMBL373285 0.84 TGFBR1 (0.61) TGFBR1ACVR1B

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
EP-1355903-B1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION SMITHKLINE BEECHAM CORP (US) 2005-03-16 EP claimed
US-20040087623-A1 Pyrazole derivatives against tgf overexpression GLAXO GROUP LIMITED (GB) 2004-05-06 US claimed
EP-1355903-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-29 EP claimed
WO-2002066462-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2002-08-29 WO claimed
US-8871744-B2 Compounds and methods for selectively targeting tumor-associated mucins B & G Partyers, LLC (US) 2014-10-28 US disclosed
EP-1355903-B1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION SMITHKLINE BEECHAM CORP (US) 2005-03-16 EP disclosed
US-20040087623-A1 Pyrazole derivatives against tgf overexpression GLAXO GROUP LIMITED (GB) 2004-05-06 US disclosed
EP-1355903-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-29 EP disclosed
WO-2002066462-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2002-08-29 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 (1 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-20040087623-A1 Pyrazole derivatives against tgf overexpression TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885ACVR1B 15/4885MEN1 1904/4885

“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.