SCHEMBL6832036

SCHEMBL6832036

FC(F)(F)Oc1cccc(Nc2cc(-c3c[nH]nc3-c3ccccn3)ccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.43
TGFBR1 P36897 2/20 0.42
GALR2 O43603 1/20 0.41
GALR1 P47211 1/20 0.41
GRM5 P41594 1/20 0.41
ABL1 P00519 4/20 0.39
BCR P11274 4/20 0.39
PRKCA P17252 2/20 0.39
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
PRKCD Q05655 1/20 0.38
CSNK2A1 P68400 1/20 0.38
RUNX1 Q01196 1/20 0.38
CBFB Q13951 1/20 0.38
EPHX2 P34913 1/20 0.38
SYK P43405 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL6834633 0.85 TGFBR1 (0.44) TGFBR1CBFBBUB1
SCHEMBL6832965 0.83 KCNN1 (0.44) TGFBR1GRM5MAPK14
SCHEMBL6834641 0.82 NPY5R (0.46) TGFBR1GRM5ABL1BCR
SCHEMBL6832624 0.81 BUB1 (0.40) TGFBR1SYKMAPK14BUB1
SCHEMBL6179103 0.79 TGFBR1 (0.46) TGFBR1GRM5RUNX1CBFB
SCHEMBL6832462 0.79 KDM4E (0.44) TGFBR1KCNH2
SCHEMBL6832525 0.79 TGFBR1 (0.54) TGFBR1
SCHEMBL6832626 0.79 TGFBR1 (0.40) TGFBR1EGFRCSNK2A1CBFBKCNH2
SCHEMBL6829358 0.79 TGFBR1 (0.44) TGFBR1
SCHEMBL6832044 0.79 NR4A1 (0.43) TGFBR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097502-A1 Pyrazoles as tgf inhibitors GELLIBERT FRANCOISE JEANNE (FR) 2004-05-20 US claimed
EP-1363904-A1 PYRAZOLES AS TGF INHIBITORS GLAXO GROUP LIMITED (GB) 2003-11-26 EP claimed
WO-2002062787-A1 PYRAZOLES AS TGF INHIBITORS GLAXO GROUP LIMITED (GB) 2002-08-15 WO claimed
US-20040097502-A1 Pyrazoles as tgf inhibitors GELLIBERT FRANCOISE JEANNE (FR) 2004-05-20 US disclosed
EP-1363904-A1 PYRAZOLES AS TGF INHIBITORS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002062787-A1 PYRAZOLES AS TGF INHIBITORS GLAXO GROUP LIMITED (GB) 2002-08-15 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-20040097502-A1 Pyrazoles as tgf inhibitors TGFBR1, TGFBR2, TGFB1 IGF1R 30/4885TGFBR1 1/4885GALR2 3132/4885

“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.