SCHEMBL3489080

SCHEMBL3489080

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.58
MAP3K11 Q16584 1/20 0.45
AAK1 Q2M2I8 4/20 0.44
CAMKK2 Q96RR4 2/20 0.42
ABL1 P00519 2/20 0.42
DHODH Q02127 2/20 0.41
KIT P10721 3/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CHRNA7 P36544 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL12343156 0.90 MAP4K1 (0.49) MAP4K1AAK1CAMKK2ABL1DHODH
SCHEMBL3488654 0.90 MAP4K1 (0.73) MAP4K1MAP3K11AAK1CAMKK2ABL1
SCHEMBL3490783 0.87 MAP4K1 (0.60) MAP4K1MAP3K11AAK1CAMKK2ABL1
SCHEMBL3488644 0.87 MAP4K1 (0.46) MAP4K1MAP3K11AAK1CAMKK2ABL1
SCHEMBL12343134 0.87 MAP4K1 (0.53) MAP4K1MAP3K11CAMKK2ABL1KIT
SCHEMBL12343334 0.87 MAP4K1 (0.61) MAP4K1MAP3K11AAK1CAMKK2ABL1
SCHEMBL3489835 0.86 MAP4K1 (0.45) MAP4K1AAK1CAMKK2ABL1DHODH
SCHEMBL3373598 0.84 KIT (0.56) MAP4K1ABL1KITNTRK1
SCHEMBL12343337 0.84 MAP4K1 (0.57) MAP4K1MAP3K11AAK1CAMKK2ABL1
SCHEMBL12343154 0.84 ABL1 (0.44) MAP4K1AAK1CAMKK2ABL1DHODH

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 19/4885MAP3K11 26/4885AAK1 187/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 MAP4K1 19/4885MAP3K11 26/4885AAK1 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.