SCHEMBL3489122

SCHEMBL3489122

COc1ccccc1-c1n[nH]c2ncc(-c3ccc(NC(=O)N(C)C)c(C(=O)N(C)C)c3)cc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.56
ABL1 P00519 2/20 0.48
AAK1 Q2M2I8 7/20 0.41
CYP3A4 P08684 1/20 0.39
IGF1R P08069 4/20 0.39
PIK3C3 Q8NEB9 1/20 0.38
LRRK2 Q5S007 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CAMKK2 Q96RR4 1/20 0.37

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
SCHEMBL3488848 0.93 MAP4K1 (0.56) MAP4K1ABL1AAK1CYP3A4IGF1R
SCHEMBL12344647 0.91 MAP4K1 (0.53) MAP4K1ABL1AAK1CYP3A4IGF1R
SCHEMBL3491862 0.90 MAP4K1 (0.53) MAP4K1ABL1AAK1CYP3A4IGF1R
SCHEMBL12343707 0.90 MAP4K1 (0.49) MAP4K1ABL1AAK1CYP3A4IGF1R
SCHEMBL12343429 0.89 MAP4K1 (0.52) MAP4K1ABL1AAK1CYP3A4IGF1R
SCHEMBL12344646 0.89 MAP4K1 (0.52) MAP4K1ABL1AAK1CYP3A4IGF1R
SCHEMBL12343425 0.89 MAP4K1 (0.54) MAP4K1ABL1AAK1CYP3A4IGF1R
SCHEMBL12343426 0.89 MAP4K1 (0.54) MAP4K1ABL1AAK1CYP3A4IGF1R
SCHEMBL12344671 0.89 MAP4K1 (0.51) MAP4K1ABL1AAK1CYP3A4IGF1R
SCHEMBL12343493 0.89 MAP4K1 (0.51) MAP4K1ABL1AAK1CYP3A4IGF1R

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 14 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-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-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
EP-2134179-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 EP 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
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
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 MAP4K1 19/4885ABL1 141/4885AAK1 187/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 MAP4K1 19/4885ABL1 141/4885AAK1 187/4885

“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.