SCHEMBL4914334

SCHEMBL4914334

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2CCN1CCOCC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.76
ABL1 P00519 5/20 0.76
BRAF P15056 5/20 0.76
DDR2 Q16832 4/20 0.76
BTK Q06187 4/20 0.76
RAF1 P04049 4/20 0.76
DDR1 Q08345 3/20 0.76
SRC P12931 3/20 0.76
TYK2 P29597 3/20 0.76
SYK P43405 3/20 0.76
MAPK8 P45983 3/20 0.76
MAPK9 P45984 3/20 0.76
MAPK10 P53779 3/20 0.76
MAPK14 Q16539 3/20 0.76
FGFR1 P11362 3/20 0.76
BCR P11274 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

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 0.94 ABL1 (0.77) LCKABL1BRAFDDR2BTK
SCHEMBL4917606 0.91 ABL1 (0.76) LCKABL1BRAFDDR2BTK
SCHEMBL4699947 0.90 ABL1 (0.83) LCKABL1BRAFDDR2BTK
SCHEMBL4922941 0.88 ABL1 (0.80) LCKABL1BRAFDDR2BTK
SCHEMBL4916509 0.87 ABL1 (0.78) LCKABL1BRAFDDR2BTK
SCHEMBL29380618 0.87 ABL1 (1.00) LCKABL1BRAFDDR2BTK
SCHEMBL4699731 0.87 ABL1 (1.00) LCKABL1BRAFDDR2BTK
SCHEMBL29358745 0.87 ABL1 (1.00) LCKABL1BRAFDDR2BTK
SCHEMBL4820277 0.83 BRAF (0.60) LCKABL1BRAFDDR2BTK
SCHEMBL18804561 0.82 DDR1 (0.81) LCKABL1BRAFDDR2BTK

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 2 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
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 LCK 35/4885ABL1 30/4885BRAF 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.