SCHEMBL4043718

SCHEMBL4043718

NC(=O)c1c(Cl)c(-c2ccccc2)n2c1CN(S(=O)(=O)Nc1ccccc1)CC2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 18/20 0.41
CSNK1D P48730 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL4040415 0.93 KMT2A (0.41) CSNK1EMEN1KMT2A
SCHEMBL14394090 0.91 CSNK1E (0.37) CSNK1EOPRM1OPRD1OPRK1
SCHEMBL4046474 0.90 CSNK1E (0.41) CSNK1E
SCHEMBL4037674 0.90 CSNK1E (0.42) CSNK1EMEN1KMT2A
SCHEMBL4041930 0.89 CSNK1E (0.43) CSNK1ECSNK1DMEN1KMT2A
SCHEMBL13964296 0.87 MEN1 (0.35) CSNK1EMEN1KMT2AOPRM1OPRD1
SCHEMBL4044206 0.84 KMT2A (0.42) CSNK1EMEN1KMT2A
SCHEMBL4043222 0.82 GBA1 (0.42) MEN1KMT2A
SCHEMBL4041961 0.80 PKM (0.47) MEN1KMT2A
SCHEMBL4047940 0.80 LSS (0.37) CSNK1EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635641-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-03-25 EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-7427637-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2008-09-23 US disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
EP-1635641-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-12-20 EP disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20060142278-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2006-06-29 US disclosed
EP-1635641-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-03-22 EP disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
WO-2004112699-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2004-12-29 WO disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 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 (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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 CSNK1E 136/4885CSNK1D 134/4885MEN1 3865/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CSNK1E 243/4885CSNK1D 154/4885MEN1 3716/4885
US-20060142278-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18A CSNK1E 915/4885CSNK1D 1569/4885MEN1 2824/4885

“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.