SCHEMBL4696327

SCHEMBL4696327

Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1Nc1ncnc2c1cnn2C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.61
BRAF P15056 4/20 0.52
RAF1 P04049 3/20 0.52
PIP4K2A P48426 2/20 0.52
LCK P06239 2/20 0.52
LYN P07948 2/20 0.52
FRK P42685 2/20 0.52
PRKCD Q05655 2/20 0.52
MAP3K20 Q9NYL2 2/20 0.52
MTOR P42345 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ESYT2 A0FGR8 1/20 0.52
PLEKHG3 A1L390 1/20 0.52
NBAS A2RRP1 1/20 0.52
CNOT1 A5YKK6 1/20 0.52
TBKBP1 A7MCY6 1/20 0.52
MYO1G B0I1T2 1/20 0.52
AGPS O00116 1/20 0.52
MYO1F O00160 1/20 0.52
SNAP23 O00161 1/20 0.52

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
SCHEMBL4698765 0.88 BRAF (0.61) MAPK14BRAFRAF1PIP4K2ALCK
SCHEMBL4698202 0.86 MAPK14 (0.63) MAPK14BRAFRAF1PIP4K2ALCK
SCHEMBL4698956 0.85 MAPK14 (0.57) MAPK14PIP4K2ALCKLYNFRK
SCHEMBL4697140 0.84 BRAF (0.66) MAPK14BRAF
SCHEMBL4701699 0.83 BRAF (0.70) MAPK14BRAFRAF1PIP4K2ALCK
SCHEMBL4699995 0.82 BRAF (0.68) MAPK14BRAF
SCHEMBL4699786 0.79 BRAF (0.63) BRAFLYNABL1EGFRBCR
SCHEMBL4787068 0.78 BRAF (0.57) BRAFABL1LMNAKDRBTK
SCHEMBL12000876 0.77 MAPK14 (1.00) MAPK14MAPK11TP53
SCHEMBL4917626 0.76 BRAF (0.58) BRAFABL1KDRBTKCSF1R

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 4 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

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 MAPK14 252/4885BRAF 42/4885RAF1 141/4885

“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.