SCHEMBL169872

SCHEMBL169872

CNC(=S)NC(=O)C(C)(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 4/20 0.44
ALOX12 P18054 3/20 0.44
NPC1 O15118 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL2605851 0.83 ALDH1A1 (0.54) KMT2AMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL13270940 0.81 MAPT (0.57) KMT2AMAPTHDAC3HDAC4HDAC1
SCHEMBL17993491 0.81 MAPT (0.58) KMT2AMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL13620071 0.79 GAA (0.51) KMT2AMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL9035777 0.74 HDAC3 (0.70) KMT2AMAPTHDAC3HDAC4HDAC1
SCHEMBL27405464 0.73 MAPT (0.52) KMT2AMAPTHDAC3HDAC4HDAC1
SCHEMBL21378779 0.72 MAPT (0.61) KMT2AMAPTHDAC3HDAC4HDAC1
SCHEMBL4965466 0.71 HDAC3 (0.71) KMT2AMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL2680169 0.71 ALDH1A1 (0.66) KMT2ASMN1; SMN2ALDH1A1RAB9AALOX12
SCHEMBL24571813 0.70 HDAC3 (0.50) KMT2AMAPTSMN1; SMN2HDAC3HDAC4

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-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8846927-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-09-30 US disclosed
US-8569503-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2013-10-29 US disclosed
US-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2013-06-27 US disclosed
US-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 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-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 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 (3 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 938/4885MAPT 1952/4885SMN1; SMN2 3577/4885
US-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET KMT2A 2353/4885MAPT 1806/4885SMN1; SMN2 4376/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET KMT2A 2353/4885MAPT 1806/4885SMN1; SMN2 4376/4885

“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.