SCHEMBL12344591

SCHEMBL12344591

COc1cccnc1-c1nn(POI)c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 12/20 0.54
CYP3A4 P08684 3/20 0.42
ABL1 P00519 2/20 0.42
MAP3K11 Q16584 1/20 0.35
PIK3C3 Q8NEB9 2/20 0.34
NTRK1 P04629 1/20 0.34
ALOX5AP P20292 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
KIT P10721 1/20 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
SCHEMBL13600212 0.87 MAP4K1 (0.54) MAP4K1CYP3A4ABL1MAP3K11PIK3C3
SCHEMBL3490184 0.77 MAP4K1 (0.62) MAP4K1CYP3A4ABL1MAP3K11PIK3C3
SCHEMBL12344643 0.76 MAP4K1 (0.45) MAP4K1CYP3A4ABL1PIK3C3
SCHEMBL12343456 0.71 MAP4K1 (0.57) MAP4K1CYP3A4ABL1
SCHEMBL1516656 0.70 MAP4K1 (1.00) MAP4K1CYP3A4ABL1MAP3K11NTRK1
SCHEMBL3488673 0.70 MAP4K1 (0.56) MAP4K1CYP3A4ABL1ALOX5AP
SCHEMBL3488690 0.70 MAP4K1 (0.56) MAP4K1CYP3A4ABL1ALOX5AP
SCHEMBL3488654 0.68 MAP4K1 (0.73) MAP4K1CYP3A4ABL1MAP3K11AAK1
SCHEMBL3565148 0.66 MAP4K1 (0.59) MAP4K1CYP3A4ABL1ALOX5AP
SCHEMBL12344669 0.65 MAPK1 (0.39) MAP4K1CYP3A4ABL1NTRK1KIT

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-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 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-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 MAP4K1 19/4885CYP3A4 3559/4885ABL1 141/4885

“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.