SCHEMBL171960

SCHEMBL171960

CNC(=S)NC(=O)Cc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
LMNA P02545 5/20 0.56
KDM4E B2RXH2 4/20 0.56
HPGD P15428 4/20 0.55
POLB P06746 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
PKM P14618 2/20 0.52
GAA P10253 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
BLM P54132 1/20 0.50
CYP1A2 P05177 1/20 0.49

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
SCHEMBL14045083 0.85 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL171966 0.84 PKM (0.57) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL14019914 0.84 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL5495002 0.83 HPGD (0.66) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL17993506 0.81 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL12264637 0.80 HPGD (0.66) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL15145919 0.77 KDM4E (0.73) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL15145833 0.74 KDM4E (0.61) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL10344961 0.74 HPGD (0.68) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL24000916 0.74 HPGD (0.58) ALDH1A1KDM4EHPGDPOLBMEN1

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 8 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-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

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 ALDH1A1 3152/4885LMNA 3109/4885KDM4E 776/4885
US-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET ALDH1A1 3139/4885LMNA 4752/4885KDM4E 2282/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 ALDH1A1 3152/4885LMNA 3109/4885KDM4E 776/4885

“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.