SCHEMBL4320504

SCHEMBL4320504

Cc1ccc(C(=O)N(CC(F)COS(C)(=O)=O)C(c2nc3cnccc3c(=O)n2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.55
MAP1LC3B Q9GZQ8 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
KCNH2 Q12809 1/20 0.53
KIF23 Q02241 1/20 0.45
NAMPT P43490 7/20 0.41
PDE6D O43924 2/20 0.41

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
SCHEMBL4320506 1.00 KIF11 (0.55) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4320508 1.00 KIF11 (0.55) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4326718 0.89 KIF11 (0.61) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4322824 0.89 KIF11 (0.57) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4326723 0.89 KIF11 (0.61) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4326716 0.89 KIF11 (0.61) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4316742 0.89 KIF11 (0.57) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4322822 0.89 KIF11 (0.57) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4282121 0.89 KIF11 (0.70) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5062366 0.87 KIF11 (0.56) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632839-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-12-15 US disclosed
US-20080139586-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-06-12 US disclosed
EP-1855664-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
WO-2006078575-A2 FLUORINATED AMINOALKYL-4-OXO-3,4-DIHYDROPYRIDO[3,4- D] PYRIMIDINES AS INHIBITORS OF MITOTIC KINESINS 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-20080139586-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIFC1 KIF11 8/4885MAP1LC3B 148/4885CYP3A4 4765/4885

“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.