SCHEMBL4699786

SCHEMBL4699786

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1ncnc2c1cnn2C

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.63
EGFR P00533 9/20 0.63
ABL1 P00519 4/20 0.63
LYN P07948 2/20 0.63
BCR P11274 2/20 0.63
CSF1R P07333 4/20 0.62
KIT P10721 4/20 0.62
SRC P12931 1/20 0.59

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
SCHEMBL21943032 0.86 MAP3K7 (0.66) BRAFEGFRABL1CSF1RKIT
SCHEMBL4698202 0.85 MAPK14 (0.63) BRAFEGFRABL1LYNBCR
SCHEMBL21943342 0.84 MAP3K7 (0.69) BRAFEGFRABL1KITSRC
SCHEMBL4697140 0.83 BRAF (0.66) BRAF
SCHEMBL22024879 0.82 ABL1 (0.71) BRAFEGFRABL1LYNBCR
SCHEMBL3830316 0.81 KIT (0.64) BRAFEGFRABL1LYNBCR
SCHEMBL3557483 0.81 ABL1 (0.79) BRAFEGFRABL1LYNBCR
SCHEMBL22024687 0.80 BRAF (0.76) BRAFEGFRCSF1RKIT
Hydrochloric Acid SCHEMBL3564245 0.80 ABL1 (0.78) BRAFEGFRABL1LYNBCR
SCHEMBL4699995 0.80 BRAF (0.68) BRAF

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 BRAF 42/4885EGFR 34/4885ABL1 30/4885

“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.