SCHEMBL4697113

SCHEMBL4697113

CCN(CC)CCn1ncc2c(Nc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
BRAF P15056 10/20 0.56
LCK P06239 5/20 0.56
MAPK14 Q16539 5/20 0.56
SRC P12931 3/20 0.56
KDR P35968 3/20 0.56
INSR P06213 2/20 0.56
LYN P07948 2/20 0.56
HCK P08631 2/20 0.56
ESYT2 A0FGR8 1/20 0.56
PLEKHG3 A1L390 1/20 0.56
NBAS A2RRP1 1/20 0.56
CNOT1 A5YKK6 1/20 0.56
TBKBP1 A7MCY6 1/20 0.56
MYO1G B0I1T2 1/20 0.56
AGPS O00116 1/20 0.56
MYO1F O00160 1/20 0.56
SNAP23 O00161 1/20 0.56
AP3B1 O00203 1/20 0.56
PSMD12 O00232 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
SCHEMBL4699063 0.94 BRAF (0.55) POLBBRAFLCKSRCKDR
SCHEMBL4697700 0.93 BRAF (0.63) POLBBRAFLCKMAPK14SRC
SCHEMBL4697939 0.92 BRAF (0.54) POLBBRAFLCKMAPK14SRC
SCHEMBL4699844 0.90 POLB (0.61) POLBBRAFLCKMAPK14SRC
SCHEMBL4698022 0.89 BRAF (0.59) POLBBRAFLCKMAPK14SRC
SCHEMBL4699434 0.87 BRAF (0.61) POLBBRAFLCKMAPK14SRC
SCHEMBL4917626 0.87 BRAF (0.58) POLBBRAFKDRABL1BTK
SCHEMBL4754278 0.86 BRAF (0.61) POLBBRAFLCKMAPK14SRC
SCHEMBL4917112 0.86 BRAF (0.47) BRAFLCKMAPK14SRCKDR
SCHEMBL4697958 0.86 BRAF (0.62) POLBBRAFLCKMAPK14SRC

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 POLB 1118/4885BRAF 42/4885LCK 35/4885

“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.