SCHEMBL12342874

SCHEMBL12342874

CN(C)C(=O)c1cccc(-c2cnc3[nH]nc(-c4ccc(N(C)C)cc4)c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.58
▸ MAP4K1 Q92918 2/20 0.58
▸ TNIK Q9UKE5 1/20 0.48
▸ AURKA O14965 1/20 0.47
▸ IGF1R P08069 6/20 0.46
▸ NCOA1 Q15788 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ CDK1 P06493 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ AXL P30530 1/20 0.42
▸ NEK1 Q96PY6 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ ERN1 O75460 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ FYN P06241 1/20 0.41

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
SCHEMBL12342977 0.91 CYP3A4 (0.62) CYP3A4MAP4K1TNIKAURKAIGF1R
SCHEMBL12342880 0.88 MAP4K1 (0.57) CYP3A4MAP4K1TNIKIGF1RNCOA1
SCHEMBL12342877 0.88 MAP4K1 (0.56) CYP3A4MAP4K1TNIKIGF1RNCOA1
SCHEMBL14042936 0.88 MAP4K1 (0.59) CYP3A4MAP4K1TNIKAURKAIGF1R
SCHEMBL12342964 0.87 MAP4K1 (0.58) CYP3A4MAP4K1TNIKIGF1RNCOA1
SCHEMBL12342908 0.87 CYP3A4 (0.60) CYP3A4MAP4K1TNIKAURKAIGF1R
SCHEMBL12342879 0.87 CYP3A4 (0.55) CYP3A4MAP4K1TNIKIGF1RNTRK1
SCHEMBL12342899 0.86 CYP3A4 (0.59) CYP3A4MAP4K1TNIKAURKAIGF1R
SCHEMBL12342918 0.86 CYP3A4 (0.59) CYP3A4MAP4K1TNIKIGF1RABL1
SCHEMBL12342894 0.85 MAP4K1 (0.55) CYP3A4MAP4K1TNIKIGF1RNEK1

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 9 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-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
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 — — US disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 — — US disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 — — US disclosed
WO-2008124850-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 — — WO disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 — — US disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 — — 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 (2 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-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 CYP3A4 3559/4885MAP4K1 19/4885TNIK 119/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 CYP3A4 3559/4885MAP4K1 19/4885TNIK 119/4885

“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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