SCHEMBL4698050

SCHEMBL4698050

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2[nH]ncc12

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.70
BRAF P15056 12/20 0.63
EPHB2 P29323 1/20 0.63
DDR1 Q08345 1/20 0.63
DDR2 Q16832 1/20 0.63
LCK P06239 2/20 0.61
MAPK14 Q16539 2/20 0.61
KIT P10721 1/20 0.61
SRC P12931 1/20 0.61
MAPT P10636 2/20 0.61
APEX1 P27695 1/20 0.61
KDR P35968 1/20 0.59
TEK Q02763 1/20 0.59
CSF1R P07333 1/20 0.57
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL4697842 0.93 BRAF (0.64) POLBBRAFKITKDRTEK
SCHEMBL4699073 0.90 BRAF (0.60) POLBBRAFEPHB2DDR1DDR2
SCHEMBL4696313 0.86 POLB (0.59) POLBBRAFEPHB2DDR1DDR2
SCHEMBL4701699 0.83 BRAF (0.70) POLBBRAFEPHB2DDR1DDR2
SCHEMBL4915156 0.82 DDR2 (0.56) BRAFDDR2MAPK14KITKDR
SCHEMBL17548873 0.82 DDR2 (0.76) POLBBRAFEPHB2DDR1DDR2
SCHEMBL4920005 0.81 DDR2 (0.55) POLBBRAFEPHB2DDR1DDR2
SCHEMBL10106164 0.81 BRAF (0.75) POLBBRAFLCKMAPK14KIT
SCHEMBL4699844 0.80 POLB (0.61) POLBBRAFEPHB2DDR1DDR2
SCHEMBL4586898 0.78 CSF1R (0.53) BRAFDDR2LCKKITSRC

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-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors HOLZER PHILIPP 2008-11-06 US claimed
EP-1963327-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS Novartis AG (CH) 2008-09-03 EP claimed
WO-2007062805-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS NOVARTIS AG (CH) 2007-06-07 WO claimed
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors HOLZER PHILIPP 2008-11-06 US disclosed
EP-1963327-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007062805-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS NOVARTIS AG (CH) 2007-06-07 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-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors EPHB3, EPHB2, EPHB1 POLB 1118/4885BRAF 42/4885EPHB2 2/4885

“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.