SCHEMBL6832044

SCHEMBL6832044

Oc1ccc(Nc2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.43
VCP P55072 1/20 0.43
TGFBR1 P36897 5/20 0.40
MAPK10 P53779 3/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TNIK Q9UKE5 1/20 0.37
MAPK8 P45983 2/20 0.36
AURKA O14965 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
SCHEMBL6829358 0.89 TGFBR1 (0.44) TGFBR1MAPK10MEN1KMT2A
SCHEMBL6832525 0.87 TGFBR1 (0.54) TGFBR1NPC1RAB9AMEN1KMT2A
SCHEMBL6834641 0.86 NPY5R (0.46) TGFBR1MAPK10KMT2ATNIK
SCHEMBL6832462 0.85 KDM4E (0.44) TGFBR1MAPK10NPC1RAB9AMEN1
SCHEMBL6834671 0.84 PTGS2 (0.47) TGFBR1AURKA
SCHEMBL6832969 0.83 GRM4 (0.42) TGFBR1MAPK10NPC1RAB9AMEN1
SCHEMBL6834538 0.83 TGFBR1 (0.47) TGFBR1MAPK10NPC1RAB9AMEN1
SCHEMBL6832965 0.83 KCNN1 (0.44) TGFBR1NPC1RAB9AMEN1KMT2A
SCHEMBL6832570 0.80 PRKCI (0.46) TGFBR1
SCHEMBL6829430 0.80 TGFBR1 (0.54) 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 NR4A1 694/4885VCP 3468/4885TGFBR1 1/4885

“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.