SCHEMBL4699073

SCHEMBL4699073

O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Nc2ncnc3[nH]ncc23)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.60
POLB P06746 1/20 0.56
FLT3 P36888 3/20 0.56
KDR P35968 1/20 0.51
LCK P06239 3/20 0.51
DDR2 Q16832 2/20 0.50
EPHB2 P29323 1/20 0.49
DDR1 Q08345 1/20 0.49
TEK Q02763 1/20 0.49
KIT P10721 1/20 0.49
SRC P12931 1/20 0.49
MAPK14 Q16539 1/20 0.49
GAA P10253 1/20 0.49
AHR P35869 1/20 0.49
HSD17B10 Q99714 1/20 0.49
EPAS1 Q99814 1/20 0.49

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
SCHEMBL4915156 0.93 DDR2 (0.56) BRAFFLT3KDRDDR2KIT
SCHEMBL4698050 0.90 POLB (0.70) BRAFPOLBKDRLCKDDR2
SCHEMBL4697842 0.82 BRAF (0.64) BRAFPOLBKDRTEKKIT
SCHEMBL10104564 0.81 BRAF (0.74) BRAF
SCHEMBL4696313 0.79 POLB (0.59) BRAFPOLBFLT3KDRLCK
SCHEMBL4699408 0.77 MAPT (0.53) BRAFPOLBLCKKITMAPK14
SCHEMBL4697939 0.76 BRAF (0.54) BRAFPOLBFLT3KDRLCK
SCHEMBL10104627 0.74 BRAF (1.00) BRAF
SCHEMBL1264304 0.74 KDR (0.81) BRAFPOLBKDRLCKTEK
SCHEMBL4920005 0.74 DDR2 (0.55) BRAFPOLBFLT3KDRLCK

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 3 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 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 BRAF 42/4885POLB 1118/4885FLT3 20/4885

“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.