SCHEMBL8199892

SCHEMBL8199892

CC(C)NC(=O)c1cccc(C(=O)NCc2nc3ccccc3s2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ALOX15 P16050 1/20 0.56
CASP1 P29466 1/20 0.56
HPGD P15428 3/20 0.56
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 3/20 0.43
RECQL P46063 1/20 0.43
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
ALDH1A1 P00352 2/20 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
SCHEMBL7171254 0.77 HPGD (0.50) ALOX15HPGDCYP1A2CYP2C19ROCK2
SCHEMBL12853261 0.77 MAPT (0.58) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL29838366 0.77 HPGD (0.63) ALOX15HPGDCYP1A2CYP2C19L3MBTL1
SCHEMBL8208032 0.76 COPS5 (0.47) HPGDL3MBTL1RAB9ACNR2
SCHEMBL7723002 0.76 HTT (0.67) ALOX15HPGDCYP1A2CYP2C19ROCK2
SCHEMBL8206290 0.76 ADORA2A (0.55) TSHRHPGDCYP1A2MAPTKMT2A
SCHEMBL12853577 0.76 LANCL2 (0.52) TSHRALOX15HPGDROCK2ROCK1
SCHEMBL8209071 0.75 CYP2C9 (0.56) CYP1A2CYP2C19ROCK2ROCK1MAPT
SCHEMBL8206216 0.75 CYP2C9 (0.48) TSHRALOX15CASP1HPGDCYP2C19
SCHEMBL8208551 0.74 POLB (0.59) TSHRHTTMAPTKMT2AKDM4E

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-2132178-B1 JNK INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
WO-2008082487-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO 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-20100179141-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK5, MAPK15 TSHR 3506/4885ALOX15 1541/4885CASP1 588/4885

“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.