SCHEMBL23879998

SCHEMBL23879998

Cc1cc(Cc2n[nH]c3cccc(C(C)C)c23)c2[nH]nc(N)c2c1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 6/20 0.34
▸ CDK5 Q00535 5/20 0.34
▸ CLK4 Q9HAZ1 4/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ KDR P35968 13/20 0.34
▸ FLT3 P36888 8/20 0.33
▸ KIT P10721 6/20 0.33
▸ GAA P10253 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ CSF1R P07333 5/20 0.32
▸ PRKACA P17612 5/20 0.32
▸ FLT1 P17948 5/20 0.32
▸ LCK P06239 4/20 0.32
▸ FGFR1 P11362 4/20 0.32
▸ PLK4 O00444 4/20 0.32
▸ AURKA O14965 4/20 0.32
▸ RPS6KB1 P23443 4/20 0.32
▸ MARK3 P27448 4/20 0.32
▸ MARK2 Q7KZI7 4/20 0.32
▸ AURKB Q96GD4 4/20 0.32

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
SCHEMBL20132921 0.84 ROCK2 (0.33) ROCK1CLK4CDK8KDRFLT3
SCHEMBL20132981 0.74 PDPK1 (0.33) ROCK1CDK5CLK4CDK8KDR
SCHEMBL16475286 0.71 PDPK1 (0.56) ROCK1CDK5CLK4CDK8KDR
SCHEMBL19786404 0.69 — —
SCHEMBL26420402 0.65 — —
SCHEMBL19104285 0.65 PDPK1 (0.42) ROCK1CDK5CLK4KDRFLT3
SCHEMBL22349086 0.64 KDR (0.37) ROCK1CDK5CLK4KDRFLT3
SCHEMBL18368384 0.62 CYP1A2 (0.41) ROCK1CDK5CLK4CDK8KDR
SCHEMBL569660 0.62 GAA (0.61) ROCK1CDK5CLK4CDK8KDR
SCHEMBL13236555 0.61 PDPK1 (0.56) ROCK1CDK5CLK4CDK8KDR

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-11136308-B2 Substituted quinazoline and quinazolinone compounds and methods of use thereof ARAXES PHARMA LLC (US) 2021-10-05 — — 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-11136308-B2 Substituted quinazoline and quinazolinone compounds and methods of use thereof KRAS, NRAS, HRAS ROCK1 111/4885CDK5 788/4885CLK4 768/4885

“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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