SCHEMBL12342899

SCHEMBL12342899

CN(C)C(=O)c1cccc(-c2cnc3[nH]nc(-c4cncnc4)c3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.59
▸ MAP4K1 Q92918 1/20 0.59
▸ NEK1 Q96PY6 4/20 0.54
▸ IGF1R P08069 6/20 0.47
▸ TNIK Q9UKE5 1/20 0.47
▸ ABL1 P00519 2/20 0.46
▸ CDK1 P06493 3/20 0.43
▸ CDK2 P24941 3/20 0.43
▸ MKNK2 Q9HBH9 2/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ AXL P30530 2/20 0.42
▸ PLK4 O00444 2/20 0.41
▸ ROCK2 O75116 2/20 0.41
▸ PRKD3 O94806 2/20 0.41
▸ PAK4 O96013 2/20 0.41
▸ CHEK2 O96017 2/20 0.41
▸ INSR P06213 2/20 0.41
▸ FES P07332 2/20 0.41
▸ ROS1 P08922 2/20 0.41
▸ FER P16591 2/20 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
SCHEMBL12342908 0.90 CYP3A4 (0.60) CYP3A4MAP4K1NEK1IGF1RTNIK
SCHEMBL12342977 0.90 CYP3A4 (0.62) CYP3A4MAP4K1NEK1IGF1RTNIK
SCHEMBL12342932 0.86 CYP3A4 (0.56) CYP3A4MAP4K1NEK1IGF1RTNIK
SCHEMBL12342874 0.86 CYP3A4 (0.58) CYP3A4MAP4K1NEK1IGF1RTNIK
SCHEMBL12342964 0.86 MAP4K1 (0.58) CYP3A4MAP4K1NEK1IGF1RTNIK
SCHEMBL12342976 0.86 CYP3A4 (0.53) CYP3A4MAP4K1NEK1IGF1RTNIK
SCHEMBL12342925 0.85 CYP3A4 (0.60) CYP3A4MAP4K1NEK1IGF1RTNIK
SCHEMBL12342880 0.85 MAP4K1 (0.57) CYP3A4MAP4K1NEK1IGF1RTNIK
SCHEMBL12342916 0.84 CYP3A4 (0.56) CYP3A4MAP4K1NEK1IGF1RTNIK
SCHEMBL14042936 0.84 MAP4K1 (0.59) CYP3A4MAP4K1NEK1IGF1RTNIK

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 19/4885NEK1 248/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 CYP3A4 3559/4885MAP4K1 19/4885NEK1 248/4885

“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.

Send feedback