SCHEMBL3488644

SCHEMBL3488644

COc1ccccc1-c1n[nH]c2ncc(-c3cc(C)c(N)c(C(=O)O)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.46
CAMKK2 Q96RR4 2/20 0.43
CHRNA7 P36544 1/20 0.42
DHODH Q02127 3/20 0.41
LRRK2 Q5S007 2/20 0.41
ABL1 P00519 1/20 0.41
AAK1 Q2M2I8 1/20 0.39
AXL P30530 1/20 0.38
FGFR2 P21802 1/20 0.38
NEK2 P51955 1/20 0.37
MAP3K11 Q16584 2/20 0.37
KIT P10721 1/20 0.37
ADORA2A P29274 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 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
SCHEMBL3489835 0.90 MAP4K1 (0.45) MAP4K1CAMKK2CHRNA7DHODHLRRK2
SCHEMBL12343156 0.89 MAP4K1 (0.49) MAP4K1CAMKK2CHRNA7DHODHLRRK2
SCHEMBL3489080 0.87 MAP4K1 (0.58) MAP4K1CAMKK2CHRNA7DHODHABL1
SCHEMBL12343349 0.85 MAP4K1 (0.44) MAP4K1CAMKK2CHRNA7LRRK2ABL1
SCHEMBL12343352 0.84 ALOX5AP (0.42) MAP4K1CAMKK2CHRNA7LRRK2ABL1
SCHEMBL3488761 0.83 AKR1C2 (0.45) MAP4K1CHRNA7DHODHABL1AAK1
SCHEMBL12343154 0.82 ABL1 (0.44) MAP4K1CAMKK2DHODHLRRK2ABL1
SCHEMBL12343354 0.82 MAP4K4 (0.44) MAP4K1CAMKK2CHRNA7ABL1AAK1
SCHEMBL3490188 0.82 PIK3CA (0.42) MAP4K1ABL1KITGAAKMT2A
SCHEMBL12343350 0.81 MAP4K4 (0.44) MAP4K1CAMKK2AXL

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 19/4885CAMKK2 107/4885CHRNA7 3802/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 MAP4K1 19/4885CAMKK2 107/4885CHRNA7 3802/4885

“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.