SCHEMBL12123684

SCHEMBL12123684

CC(C)n1nc(-c2cccc(NC(=O)Nc3cccc(CF)c3)c2)c2c(N)ncnc21

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 19/20 0.71
▸ ABL1 P00519 14/20 0.64
▸ PIK3CD O00329 13/20 0.64
▸ EGFR P00533 13/20 0.64
▸ HCK P08631 13/20 0.64
▸ KDR P35968 13/20 0.64
▸ PIK3CA P42336 13/20 0.64
▸ MTOR P42345 13/20 0.64
▸ PIK3CG P48736 13/20 0.64
▸ EPHB4 P54760 13/20 0.64
▸ PRKDC P78527 13/20 0.64
▸ PI4KB Q9UBF8 13/20 0.64
▸ PIK3CB P42338 11/20 0.64
▸ RET P07949 1/20 0.55
▸ RICTOR Q6R327 1/20 0.54
▸ RPTOR Q8N122 1/20 0.54
▸ MAPKAP1 Q9BPZ7 1/20 0.54
▸ MLST8 Q9BVC4 1/20 0.54

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
SCHEMBL16572731 0.86 SRC (0.75) SRCABL1PIK3CDEGFRHCK
SCHEMBL12123667 0.86 SRC (0.69) SRCABL1PIK3CDEGFRHCK
SCHEMBL14982737 0.84 SRC (0.84) SRCABL1PIK3CDEGFRHCK
SCHEMBL14974058 0.83 SRC (1.00) SRCABL1PIK3CDEGFRHCK
SCHEMBL7520883 0.81 SRC (1.00) SRCABL1PIK3CDEGFRHCK
SCHEMBL12120716 0.81 AURKB (0.78) SRCABL1PIK3CDEGFRHCK
SCHEMBL12120525 0.80 RET (0.67) SRCABL1PIK3CDEGFRHCK
SCHEMBL1318875 0.80 RET (0.77) SRCABL1PIK3CDEGFRHCK
SCHEMBL29496472 0.80 RET (0.77) SRCABL1PIK3CDEGFRHCK
SCHEMBL15978893 0.79 RET (0.62) SRCABL1PIK3CDEGFRHCK

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-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 — — 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-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK SRC 180/4885ABL1 46/4885PIK3CD 276/4885

“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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