SCHEMBL6832646

SCHEMBL6832646

c1ccc(-c2n[nH]cc2-c2ccnc(Nc3ccc(OCCN4CCCC4)cc3)c2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.54
SRC P12931 2/20 0.52
HRH3 Q9Y5N1 3/20 0.47
AXL P30530 1/20 0.45
LTA4H P09960 4/20 0.44
PTGS2 P35354 1/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
HRH2 P25021 1/20 0.43
BRAF P15056 1/20 0.43
KDR P35968 2/20 0.42
EGFR P00533 1/20 0.42
INSR P06213 1/20 0.42

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
SCHEMBL6832028 0.99 TGFBR1 (0.54) TGFBR1SRCHRH3AXLLTA4H
SCHEMBL373363 0.88 TGFBR1 (0.69) TGFBR1SRCHRH3LTA4HPTGS2
SCHEMBL6832525 0.82 TGFBR1 (0.54) TGFBR1
Gw695874X SCHEMBL373304 0.80 TGFBR1 (0.70) TGFBR1SRCHRH3LTA4HPRKAB2
SCHEMBL6829358 0.80 TGFBR1 (0.44) TGFBR1
SCHEMBL6832044 0.80 NR4A1 (0.43) TGFBR1
SCHEMBL6834641 0.77 NPY5R (0.46) TGFBR1
SCHEMBL6832462 0.76 KDM4E (0.44) TGFBR1
SCHEMBL6834671 0.76 PTGS2 (0.47) TGFBR1PTGS2
SCHEMBL6832570 0.76 PRKCI (0.46) 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 TGFBR1 1/4885SRC 2645/4885HRH3 476/4885

“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.