SCHEMBL6834633

SCHEMBL6834633

CC(C)Oc1cccc(Nc2cc(-c3c[nH]nc3-c3ccccn3)ccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.44
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
CBFB Q13951 1/20 0.38
BUB1 O43683 1/20 0.37
GRM4 Q14833 2/20 0.37
MAPK8 P45983 4/20 0.36
MAPK10 P53779 4/20 0.36
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
PIK3CA P42336 1/20 0.35
MAPK9 P45984 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6832626 0.88 TGFBR1 (0.40) TGFBR1KDRTEKCBFBMAPK8
SCHEMBL6832965 0.85 KCNN1 (0.44) TGFBR1GRM4PIK3CAMEN1KMT2A
SCHEMBL6832036 0.85 IGF1R (0.43) TGFBR1CBFBBUB1
SCHEMBL6832462 0.81 KDM4E (0.44) TGFBR1MAPK10MEN1KMT2A
SCHEMBL6832525 0.81 TGFBR1 (0.54) TGFBR1MEN1KMT2A
SCHEMBL6829358 0.81 TGFBR1 (0.44) TGFBR1MAPK10MEN1KMT2A
SCHEMBL6832624 0.81 BUB1 (0.40) TGFBR1BUB1MAPK8MAPK10ABCB1
SCHEMBL6834538 0.79 TGFBR1 (0.47) TGFBR1MAPK10ABCB1ABCG2MEN1
SCHEMBL6832969 0.79 GRM4 (0.42) TGFBR1GRM4MAPK10MEN1TSHR
SCHEMBL6832044 0.79 NR4A1 (0.43) TGFBR1MAPK8MAPK10MEN1KMT2A

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 TGFBR1 1/4885KDR 1298/4885TEK 77/4885

“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.