SCHEMBL4696313

SCHEMBL4696313

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(Cl)nc2[nH]ncc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
BRAF P15056 9/20 0.57
DDR2 Q16832 5/20 0.57
LCK P06239 4/20 0.57
MAPK14 Q16539 4/20 0.57
DDR1 Q08345 4/20 0.57
SRC P12931 3/20 0.57
EPHB2 P29323 3/20 0.57
ATM Q13315 3/20 0.57
APEX1 P27695 2/20 0.57
ESYT2 A0FGR8 2/20 0.57
NBAS A2RRP1 2/20 0.57
CNOT1 A5YKK6 2/20 0.57
TBKBP1 A7MCY6 2/20 0.57
AGPS O00116 2/20 0.57
MYO1F O00160 2/20 0.57
SNAP23 O00161 2/20 0.57
AP3B1 O00203 2/20 0.57
PSMD12 O00232 2/20 0.57
BMPR1B O00238 2/20 0.57

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
SCHEMBL4698050 0.86 POLB (0.70) POLBBRAFDDR2LCKMAPK14
SCHEMBL17548873 0.86 DDR2 (0.76) POLBBRAFDDR2LCKMAPK14
SCHEMBL4696804 0.80 BRAF (0.62) POLBBRAFDDR2LCKMAPK14
SCHEMBL4697842 0.79 BRAF (0.64) POLBBRAFKITKDRCSF1R
SCHEMBL4699073 0.79 BRAF (0.60) POLBBRAFDDR2LCKMAPK14
SCHEMBL4919390 0.79 BRAF (0.61) POLBBRAFDDR2LCKMAPK14
SCHEMBL20558364 0.78 BRAF (0.64) POLBBRAFDDR2LCKMAPK14
SCHEMBL4698022 0.77 BRAF (0.59) POLBBRAFDDR2LCKMAPK14
SCHEMBL4915098 0.76 BRAF (0.73) POLBBRAFDDR2LCKMAPK14
SCHEMBL22025316 0.75 BRAF (0.80) POLBBRAFDDR2LCKMAPK14

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 POLB 1118/4885BRAF 42/4885DDR2 632/4885

“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.