SCHEMBL171354

SCHEMBL171354

NC(=S)NC(=O)Cc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.52
PPIA P62937 1/20 0.52
LMNA P02545 5/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
HTT P42858 1/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.44
ELOVL1 Q9BW60 2/20 0.44
GLS O94925 1/20 0.44
MEN1 O00255 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL11830961 0.87 ALDH1A1 (0.53) MAPK8PPIALMNACA1CA2
SCHEMBL17993527 0.81 AKR1B1 (0.53) CA1CA2ALDH1A1HTTSIGMAR1
SCHEMBL171506 0.81 PPIA (0.50) MAPK8PPIALMNACA1CA2
SCHEMBL30659219 0.79 LMNA (0.54) MAPK8PPIALMNACA1CA2
SCHEMBL9734517 0.79 LMNA (0.54) MAPK8PPIALMNACA1CA2
SCHEMBL26345373 0.79 LMNA (0.54) MAPK8PPIALMNACA1CA2
SCHEMBL2605729 0.78 RIPK1 (0.50) PPIALMNACA1CA2RAB9A
SCHEMBL28399539 0.78 KMT2A (0.60) MAPK8LMNACA1CA2ALDH1A1
SCHEMBL13607973 0.77 ANO1 (0.51) MAPK8PPIALMNARAB9AALDH1A1
SCHEMBL13926143 0.77 ALDH1A1 (0.56) PPIALMNARAB9AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 US disclosed
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2012-05-03 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-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET MAPK8 258/4885PPIA 3257/4885LMNA 4752/4885

“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.