SCHEMBL5099779

SCHEMBL5099779

Cc1ccc(C(=O)N(CCN(C)C)C(c2nc3sccc3c(=O)n2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.65
KIF23 Q02241 1/20 0.61
MAP1LC3B Q9GZQ8 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
KCNH2 Q12809 1/20 0.60
PDE6D O43924 1/20 0.45

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
SCHEMBL5113656 0.93 KIF11 (0.56) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5113750 0.89 KIF11 (0.62) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5058375 0.86 KIF11 (0.65) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5062151 0.86 KIF11 (0.65) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5062445 0.86 KIF11 (0.65) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5058368 0.86 KIF11 (0.61) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5058399 0.86 KIF11 (0.65) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5062153 0.86 KIF11 (0.65) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5065921 0.86 KIF11 (0.61) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5062764 0.86 KIF11 (0.65) KIF11KIF23MAP1LC3BCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 US claimed
EP-1463733-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2007-09-05 EP claimed
EP-1463733-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-11 EP claimed
US-20050228003-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-10-13 US claimed
EP-1463733-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2004-10-06 EP claimed
WO-2003050064-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-06-19 WO claimed
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 US disclosed
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 US disclosed
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 US disclosed
EP-1463733-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2007-09-05 EP disclosed
EP-1463733-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2007-09-05 EP disclosed
EP-1463733-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-11 EP disclosed
US-20050228003-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-10-13 US disclosed
EP-1463733-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2004-10-06 EP disclosed
WO-2003050064-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-06-19 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-20050228003-A1 Mitotic kinesin inhibitors KIF5B, KIF18B, KIFC1 KIF11 9/4885KIF23 8/4885MAP1LC3B 136/4885

“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.