SCHEMBL171834

SCHEMBL171834

CNC(=S)NC(=O)CC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
EPHX1 P07099 1/20 0.50
EPHX2 P34913 3/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
KEAP1 Q14145 3/20 0.40
NFE2L2 Q16236 3/20 0.40
P2RX7 Q99572 1/20 0.40
CTSD P07339 1/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
ALPL P05186 1/20 0.38

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
SCHEMBL10172490 0.98 KMT2A (0.47) KMT2AHPGDEPHX1EPHX2RAB9A
SCHEMBL2605730 0.83 HPGD (0.47) KMT2AHPGDEPHX1EPHX2RAB9A
SCHEMBL10172597 0.83 CTSD (0.39) KMT2AHPGDEPHX1RAB9ACTSD
SCHEMBL14817499 0.83 HPGD (0.47) KMT2AHPGDEPHX1EPHX2RAB9A
SCHEMBL14019913 0.81 KMT2A (0.46) KMT2AHPGDEPHX1EPHX2RAB9A
SCHEMBL2605822 0.81 HPGD (0.44) KMT2AHPGDEPHX1EPHX2RAB9A
SCHEMBL14045113 0.81 HPGD (0.44) KMT2AHPGDEPHX1EPHX2RAB9A
SCHEMBL6043683 0.81 KMT2A (0.61) KMT2AHPGDEPHX1EPHX2RAB9A
SCHEMBL1327944 0.81 KMT2A (0.61) KMT2AHPGDEPHX1EPHX2RAB9A
SCHEMBL14019861 0.79 EPHX1 (0.47) KMT2AHPGDEPHX1EPHX2RAB9A

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-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 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 KMT2A 938/4885HPGD 1051/4885EPHX1 1408/4885
US-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET KMT2A 2353/4885HPGD 3075/4885EPHX1 2705/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 KMT2A 938/4885HPGD 1051/4885EPHX1 1408/4885

“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.