SCHEMBL171970

SCHEMBL171970

COc1ccc(OC)c(CC(=O)NC(=S)NC(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ HSD17B10 Q99714 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.50
▸ ALOX12 P18054 3/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ GLS O94925 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ CTSD P07339 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ CASP8 Q14790 1/20 0.46
▸ HTR2A P28223 1/20 0.45

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
SCHEMBL172027 0.86 HSD17B10 (0.58) KMT2AMEN1HSD17B10ALDH1A1GLS
SCHEMBL13608100 0.83 MEN1 (0.58) KMT2AMEN1ALDH1A1ALOX12MAPT
SCHEMBL14019865 0.82 HSD17B10 (0.55) KMT2AMEN1HSD17B10ALDH1A1ALOX12
SCHEMBL17993524 0.82 HSD17B10 (0.60) KMT2AMEN1HSD17B10GLSCTSD
SCHEMBL10203656 0.80 KMT2A (0.61) KMT2AMEN1ALDH1A1ALOX12CYP1A2
SCHEMBL13485784 0.77 HSD17B10 (0.69) KMT2AMEN1HSD17B10ALDH1A1GLS
SCHEMBL24714070 0.76 MEN1 (0.53) KMT2AMEN1HSD17B10ALDH1A1LMNA
SCHEMBL6500250 0.76 HSD17B10 (0.67) KMT2AMEN1HSD17B10ALDH1A1GLS
SCHEMBL2826592 0.76 HSD17B10 (0.67) KMT2AMEN1HSD17B10GLS
SCHEMBL10202728 0.75 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1ALOX12CYP1A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 — — US disclosed
US-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 — — US disclosed
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 — — US disclosed
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2012-05-03 — — US disclosed
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 — — US disclosed
EP-2426108-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MethylGene Inc. (CA) 2012-03-07 — — EP disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 — — US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 — — US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 — — US disclosed
WO-2009026717-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2009-03-05 — — WO 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 (4 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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 KMT2A 938/4885MEN1 1071/4885HSD17B10 2594/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 KMT2A 938/4885MEN1 1071/4885HSD17B10 2594/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET KMT2A 2353/4885MEN1 3231/4885HSD17B10 3782/4885
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET KMT2A 2353/4885MEN1 3231/4885HSD17B10 3782/4885

“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.

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