SCHEMBL4917606

SCHEMBL4917606

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2CCCN1CCN(C)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.76
LYN P07948 5/20 0.76
BRAF P15056 5/20 0.76
INSR P06213 4/20 0.76
LCK P06239 4/20 0.76
HCK P08631 4/20 0.76
SRC P12931 4/20 0.76
BCR P11274 3/20 0.76
DDR1 Q08345 3/20 0.76
DDR2 Q16832 3/20 0.76
EGFR P00533 3/20 0.76
RET P07949 3/20 0.76
KDR P35968 3/20 0.76
ESYT2 A0FGR8 2/20 0.76
NBAS A2RRP1 2/20 0.76
CNOT1 A5YKK6 2/20 0.76
TBKBP1 A7MCY6 2/20 0.76
AGPS O00116 2/20 0.76
MYO1F O00160 2/20 0.76
SNAP23 O00161 2/20 0.76

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
SCHEMBL4700123 0.97 ABL1 (0.77) ABL1LYNBRAFINSRLCK
SCHEMBL4914334 0.91 LCK (0.76) ABL1LYNBRAFINSRLCK
SCHEMBL4699947 0.90 ABL1 (0.83) ABL1LYNBRAFINSRLCK
SCHEMBL4922941 0.88 ABL1 (0.80) ABL1LYNBRAFINSRLCK
SCHEMBL4916509 0.87 ABL1 (0.78) ABL1LYNBRAFINSRLCK
SCHEMBL29380618 0.87 ABL1 (1.00) ABL1LYNBRAFINSRLCK
SCHEMBL4699731 0.87 ABL1 (1.00) ABL1LYNBRAFINSRLCK
SCHEMBL29358745 0.87 ABL1 (1.00) ABL1LYNBRAFINSRLCK
SCHEMBL4820277 0.86 BRAF (0.60) ABL1LYNBRAFINSRLCK
SCHEMBL4700683 0.85 BRAF (0.62) ABL1LYNBRAFINSRLCK

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 1 patent. 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

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 ABL1 30/4885LYN 161/4885BRAF 42/4885

“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.