SCHEMBL6180723

SCHEMBL6180723

Cn1cncc1COc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.49
ACVR1B P36896 2/20 0.43
HRH3 Q9Y5N1 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6810599 0.86 HRH3 (0.36) TGFBR1HRH3CYP1A2CYP2D6CYP19A1
SCHEMBL6181800 0.83 TGFBR1 (0.46) TGFBR1ACVR1BHRH3CYP1A2CYP2D6
SCHEMBL6182965 0.82 TGFBR1 (0.46) TGFBR1ACVR1BHRH3CYP1A2CYP2D6
SCHEMBL373364 0.80 TGFBR1 (0.70) TGFBR1ACVR1BCYP1A2CYP2D6CYP19A1
Gw679410X SCHEMBL376414 0.79 TGFBR1 (0.63) TGFBR1ACVR1B
Gw711782X SCHEMBL415902 0.79 TGFBR1 (0.70) TGFBR1ACVR1B
SCHEMBL21932037 0.77 TGFBR1 (0.66) TGFBR1ACVR1BHRH3CYP1A2CYP2D6
SCHEMBL21932036 0.77 TGFBR1 (0.49) TGFBR1ACVR1BHRH3CYP1A2CYP2D6
SCHEMBL29528202 0.77 TGFBR1 (0.49) TGFBR1ACVR1BHRH3CYP1A2CYP2D6
SCHEMBL410420 0.77 TGFBR1 (0.67) TGFBR1ACVR1BCYP1A2CYP2D6CYP19A1

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 7 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
EP-1355903-B1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION SMITHKLINE BEECHAM CORP (US) 2005-03-16 EP 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 15/4885HRH3 794/4885

“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.