SCHEMBL15074686

SCHEMBL15074686

CNC(=O)c1ncc(-c2ccccc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KDR P35968 2/20 0.56
HDAC6 Q9UBN7 3/20 0.53
HDAC1 Q13547 1/20 0.53
SCD O00767 1/20 0.51
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
JAK3 P52333 1/20 0.51
USP30 Q70CQ3 2/20 0.51
BAZ2B Q9UIF8 1/20 0.50
GSTO1 P78417 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
IKBKB O14920 1/20 0.48

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
SCHEMBL13927796 0.84 ALOX15 (0.56) HPGDALDH1A1KDRHDAC6HDAC1
SCHEMBL21298951 0.83 KDR (0.56) NPC1RAB9AKDRHDAC6HDAC1
SCHEMBL2605695 0.83 HDAC6 (0.60) HPGDNPC1KDRHDAC6HDAC1
SCHEMBL10202148 0.83 ALDH1A1 (0.55) ALDH1A1KDRHDAC6HDAC1SCD
SCHEMBL24112826 0.81 KDR (0.53) ALDH1A1KDM4ENPC1RAB9AKDR
SCHEMBL13437383 0.80 KDR (0.56) ALDH1A1NPC1RAB9AKDRHDAC6
SCHEMBL28781367 0.80 KDR (0.56) ALDH1A1NPC1RAB9AKDRHDAC6
SCHEMBL16102044 0.79 KDR (0.54) ALDH1A1NPC1RAB9AKDRHDAC6
SCHEMBL17871614 0.78 HDAC6 (0.61) HPGDALDH1A1RAB9AKDRHDAC6
SCHEMBL13619967 0.78 HDAC6 (0.49) KDRHDAC6HDAC1SCDUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET HPGD 3075/4885ALDH1A1 3139/4885KDM4E 2282/4885

“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.