SCHEMBL171506

SCHEMBL171506

CNC(=S)NC(=O)Cc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.50
ALDH1A1 P00352 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 4/20 0.47
LMNA P02545 4/20 0.47
HPGD P15428 3/20 0.46
SIGMAR1 Q99720 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK8 P45983 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL2605729 0.85 RIPK1 (0.50) PPIAALDH1A1NPSR1RAB9ALMNA
SCHEMBL13926143 0.84 ALDH1A1 (0.56) PPIAALDH1A1NPSR1RAB9ALMNA
SCHEMBL13607973 0.84 ANO1 (0.51) PPIAALDH1A1NPSR1RAB9ALMNA
SCHEMBL21776096 0.83 ALDH1A1 (0.56) PPIAALDH1A1RAB9ALMNAHPGD
SCHEMBL10203654 0.83 AKR1B1 (0.50) ALDH1A1LMNASIGMAR1SMN1; SMN2CA2
SCHEMBL171354 0.81 MAPK8 (0.52) PPIAALDH1A1RAB9ALMNAHPGD
SCHEMBL13667641 0.80 RIPK1 (0.52) PPIAALDH1A1NPSR1RAB9ALMNA
SCHEMBL13619977 0.79 ATM (0.59) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL13169038 0.78 LMNA (0.37) ALDH1A1RAB9ALMNAHPGDKDM4E
SCHEMBL171909 0.77 CRHBP (0.58) ALDH1A1RAB9ALMNAKMT2AMAPT

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
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
US-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 US disclosed
EP-2426108-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MethylGene Inc. (CA) 2012-03-07 EP 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 PPIA 3257/4885ALDH1A1 3139/4885NPSR1 1765/4885

“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.