SCHEMBL6834671

SCHEMBL6834671

CS(=O)(=O)c1ccc(Nc2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.47
PTGS1 P23219 1/20 0.47
TGFBR1 P36897 6/20 0.46
FYN P06241 1/20 0.41
GPR39 O43194 1/20 0.39
TNNI3K Q59H18 1/20 0.39
ALB P02768 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PDE4D Q08499 1/20 0.38
SHH Q15465 1/20 0.38
USP28 Q96RU2 1/20 0.38
SLC29A1 Q99808 1/20 0.38
SMO Q99835 1/20 0.38
ABCG2 Q9UNQ0 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
SCHEMBL6829358 0.86 TGFBR1 (0.44) TGFBR1
SCHEMBL6832525 0.85 TGFBR1 (0.54) TGFBR1
SCHEMBL6832044 0.84 NR4A1 (0.43) TGFBR1AURKA
SCHEMBL6832462 0.82 KDM4E (0.44) TGFBR1
SCHEMBL6834641 0.82 NPY5R (0.46) TGFBR1
SCHEMBL6834538 0.81 TGFBR1 (0.47) TGFBR1ABCG2
SCHEMBL6832969 0.81 GRM4 (0.42) TGFBR1
SCHEMBL6832965 0.81 KCNN1 (0.44) TGFBR1TNNI3K
SCHEMBL6832570 0.78 PRKCI (0.46) TGFBR1
SCHEMBL7778211 0.77 PTGS2 (0.54) PTGS2PTGS1TGFBR1CBFBSCD

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 PTGS2 1726/4885PTGS1 335/4885TGFBR1 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.