SCHEMBL12123296

SCHEMBL12123296

CC(C)n1nc(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c2c(N)ncnc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 11/20 0.73
▸ BCR P11274 2/20 0.73
▸ BRAF P15056 1/20 0.73
▸ SRC P12931 15/20 0.67
▸ KDR P35968 9/20 0.65
▸ PIK3CD O00329 8/20 0.65
▸ EGFR P00533 8/20 0.65
▸ HCK P08631 8/20 0.65
▸ PIK3CA P42336 8/20 0.65
▸ MTOR P42345 8/20 0.65
▸ PIK3CG P48736 8/20 0.65
▸ EPHB4 P54760 8/20 0.65
▸ PRKDC P78527 8/20 0.65
▸ PI4KB Q9UBF8 8/20 0.65
▸ PIK3CB P42338 7/20 0.65
▸ RICTOR Q6R327 1/20 0.62
▸ RPTOR Q8N122 1/20 0.62
▸ MAPKAP1 Q9BPZ7 1/20 0.62
▸ MLST8 Q9BVC4 1/20 0.62
▸ RET P07949 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
SCHEMBL12123497 0.92 ABL1 (0.69) ABL1BCRBRAFSRCKDR
SCHEMBL12123667 0.91 SRC (0.69) ABL1BCRBRAFSRCKDR
SCHEMBL12120509 0.88 SRC (0.70) ABL1BCRBRAFSRCKDR
SCHEMBL1318875 0.84 RET (0.77) ABL1BCRBRAFSRCKDR
SCHEMBL29496472 0.84 RET (0.77) ABL1BCRBRAFSRCKDR
SCHEMBL12123455 0.84 ABL1 (0.70) ABL1BCRBRAFSRCKDR
SCHEMBL14985435 0.82 RET (0.73) ABL1BCRBRAFSRCKDR
SCHEMBL18288576 0.81 RET (0.65) ABL1BCRBRAFSRCKDR
SCHEMBL14982737 0.80 SRC (0.84) ABL1SRCKDRPIK3CDEGFR
SCHEMBL17936047 0.80 SRC (1.00) ABL1BCRBRAFSRCKDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358720-B1 FUSED RING HETEROARYL KINASE INHIBITORS UNIV CALIFORNIA (US) 2016-03-02 — — EP disclosed
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 — — US disclosed
WO-2010045542-A2 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-22 — — WO 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-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK ABL1 46/4885BCR 192/4885BRAF 91/4885

“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.

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