SCHEMBL6829358

SCHEMBL6829358

Cc1ccc(Nc2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.44
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
PPP1CA P62136 1/20 0.41
KCNN1 Q92952 1/20 0.41
KCNN2 Q9H2S1 1/20 0.41
KCNN3 Q9UGI6 1/20 0.41
SLC2A1 P11166 1/20 0.40
MAPK10 P53779 2/20 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
SCHEMBL6832525 0.89 TGFBR1 (0.54) TGFBR1GAAMAPTHTTKMT2A
SCHEMBL6832462 0.89 KDM4E (0.44) TGFBR1MAPTKMT2ASMN1; SMN2NPSR1
SCHEMBL6832965 0.89 KCNN1 (0.44) TGFBR1GAAHTTKMT2ASMN1; SMN2
SCHEMBL6832044 0.89 NR4A1 (0.43) TGFBR1KMT2AMEN1MAPK10
SCHEMBL6832969 0.87 GRM4 (0.42) TGFBR1MAPTKMT2AMEN1KCNN1
SCHEMBL6834671 0.86 PTGS2 (0.47) TGFBR1
SCHEMBL6834641 0.86 NPY5R (0.46) TGFBR1KMT2AMAPK10
SCHEMBL6834538 0.85 TGFBR1 (0.47) TGFBR1HTTKMT2ASMN1; SMN2MEN1
SCHEMBL6180369 0.83 TGFBR1 (0.59) TGFBR1KMT2AMEN1
SCHEMBL6834633 0.81 TGFBR1 (0.44) TGFBR1KMT2AMEN1MAPK10

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 1/4885GAA 2559/4885MAPT 2758/4885

“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.