SCHEMBL6834641

SCHEMBL6834641

FC(F)(F)c1ccc(Nc2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
TGFBR1 P36897 3/20 0.45
TRPV1 Q8NER1 2/20 0.41
MAPK10 P53779 1/20 0.40
GRM5 P41594 1/20 0.39
KMT2A Q03164 1/20 0.39
TNIK Q9UKE5 1/20 0.39
DHODH Q02127 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
SCHEMBL6829358 0.86 TGFBR1 (0.44) TGFBR1MAPK10KMT2A
SCHEMBL6832044 0.86 NR4A1 (0.43) TGFBR1MAPK10KMT2ATNIK
SCHEMBL373731 0.85 TGFBR1 (0.61) TGFBR1TRPV1GRM5
SCHEMBL6832525 0.84 TGFBR1 (0.54) TGFBR1KMT2A
SCHEMBL6832462 0.82 KDM4E (0.44) TGFBR1MAPK10KMT2A
SCHEMBL6832036 0.82 IGF1R (0.43) ABL1BCRTGFBR1GRM5
SCHEMBL6834671 0.82 PTGS2 (0.47) TGFBR1
SCHEMBL6834538 0.80 TGFBR1 (0.47) TGFBR1MAPK10KMT2ATNIK
SCHEMBL6832969 0.80 GRM4 (0.42) TGFBR1MAPK10GRM5KMT2A
SCHEMBL6832965 0.80 KCNN1 (0.44) TGFBR1GRM5KMT2A

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 4 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

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 NPY5R 1752/4885ABL1 3002/4885BCR 2737/4885

“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.