SCHEMBL171966

SCHEMBL171966

CC(C)NC(=S)NC(=O)Cc1cccs1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.57
POLB P06746 4/20 0.55
ALDH1A1 P00352 7/20 0.52
LMNA P02545 5/20 0.52
KDM4E B2RXH2 4/20 0.52
HPGD P15428 3/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL13428947 0.85 PKM (0.70) PKMPOLBALDH1A1HPGDKMT2A
SCHEMBL171960 0.84 ALDH1A1 (0.56) PKMPOLBALDH1A1LMNAKDM4E
SCHEMBL14045083 0.81 ALDH1A1 (0.56) PKMPOLBALDH1A1LMNAKDM4E
SCHEMBL14019914 0.80 ALDH1A1 (0.52) PKMPOLBALDH1A1LMNAKDM4E
SCHEMBL11631106 0.78 PKM (0.66) PKMPOLBALDH1A1LMNAKDM4E
SCHEMBL17993506 0.77 ALDH1A1 (0.58) PKMPOLBALDH1A1LMNAKDM4E
SCHEMBL12264637 0.76 HPGD (0.66) PKMPOLBALDH1A1KDM4EHPGD
SCHEMBL2605818 0.76 POLB (0.56) POLBALDH1A1LMNAHPGDKMT2A
SCHEMBL15145919 0.74 KDM4E (0.73) PKMPOLBALDH1A1LMNAKDM4E
SCHEMBL20417902 0.73 PKM (0.63) PKMPOLBALDH1A1KDM4EHPGD

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-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 US disclosed
US-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 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
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 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-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 PKM 386/4885POLB 2517/4885ALDH1A1 3152/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET PKM 1539/4885POLB 2206/4885ALDH1A1 3139/4885
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET PKM 1539/4885POLB 2206/4885ALDH1A1 3139/4885

“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.