SCHEMBL4288874

SCHEMBL4288874

Cc1ccc(C(=O)N(C[C@@H](F)CN)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.79
MAP1LC3B Q9GZQ8 2/20 0.79
KCNH2 Q12809 2/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2C19 P33261 1/20 0.79
PDE6D O43924 3/20 0.55
KIF23 Q02241 1/20 0.52
NAMPT P43490 2/20 0.46

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
SCHEMBL4287033 1.00 KIF11 (0.79) KIF11MAP1LC3BKCNH2CYP3A4CYP2C19
SCHEMBL4278585 1.00 KIF11 (0.79) KIF11MAP1LC3BKCNH2CYP3A4CYP2C19
SCHEMBL4285761 1.00 KIF11 (0.79) KIF11MAP1LC3BKCNH2CYP3A4CYP2C19
SCHEMBL4285760 1.00 KIF11 (0.79) KIF11MAP1LC3BKCNH2CYP3A4CYP2C19
SCHEMBL4282634 1.00 KIF11 (0.79) KIF11MAP1LC3BKCNH2CYP3A4CYP2C19
SCHEMBL4287028 1.00 KIF11 (0.79) KIF11MAP1LC3BKCNH2CYP3A4CYP2C19
SCHEMBL4282130 0.94 KIF11 (0.74) KIF11MAP1LC3BKCNH2CYP3A4CYP2C19
SCHEMBL4282121 0.89 KIF11 (0.70) KIF11MAP1LC3BKCNH2CYP3A4CYP2C19
SCHEMBL4282636 0.89 KIF11 (0.81) KIF11MAP1LC3BKCNH2CYP3A4CYP2C19
Ispinesib SCHEMBL3582165 0.88 KIF11 (1.00) KIF11MAP1LC3BKCNH2CYP3A4CYP2C19

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
US-20090124641-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2009-05-14 US claimed
EP-1855685-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2007-11-21 EP claimed
WO-2006078598-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2006-07-27 WO claimed
US-20090124641-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2009-05-14 US disclosed
EP-1855685-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
WO-2006078598-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2006-07-27 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 (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-20090124641-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF18B KIF11 12/4885MAP1LC3B 101/4885KCNH2 1162/4885

“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.