SCHEMBL3488620

SCHEMBL3488620

CN(C)C(=O)c1cc(-c2cnc3[nH]nc(Cc4cccc(Cl)c4)c3c2)ccc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 8/20 0.45
CYP3A4 P08684 3/20 0.45
ABL1 P00519 1/20 0.43
HSP90AA1 P07900 4/20 0.41
HSP90AB1 P08238 3/20 0.41
RPS6KB1 P23443 2/20 0.41
AKT1 P31749 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
CD38 P28907 1/20 0.37
TNIK Q9UKE5 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3488624 0.90 MAP4K1 (0.56) MAP4K1CYP3A4ABL1HSP90AA1HSP90AB1
SCHEMBL12344670 0.80 NTRK1 (0.40) MAP4K1CYP3A4HSP90AA1HSP90AB1TNIK
SCHEMBL3489349 0.72 MAP4K1 (0.59) MAP4K1CYP3A4ABL1
SCHEMBL12344667 0.71 CLK2 (0.41) HSP90AA1HSP90AB1
SCHEMBL3489336 0.67 MAP4K1 (0.43) MAP4K1CYP3A4ABL1AKT1
SCHEMBL13600201 0.66 ALDH1A1 (0.39) CYP3A4MAPK1
SCHEMBL12344640 0.66 HDAC3 (0.39) MAP4K1CYP3A4ABL1MAPK1
SCHEMBL14042936 0.66 MAP4K1 (0.59) MAP4K1CYP3A4ABL1RPS6KB1JAK3
SCHEMBL3562909 0.66 MAP4K1 (0.82) MAP4K1CYP3A4ABL1
SCHEMBL12343703 0.65 MAP4K1 (0.63) MAP4K1CYP3A4ABL1

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 6 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
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
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

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 19/4885CYP3A4 3559/4885ABL1 141/4885
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.