SCHEMBL3894868

SCHEMBL3894868

CC(C)(C)C(=O)N1CC(c2cc(F)ccc2F)=CC(c2ccccc2)C1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.67
KCNH2 Q12809 13/20 0.58

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
SCHEMBL3861377 0.93 KIF11 (0.60) KIF11KCNH2
SCHEMBL4367682 0.92 KIF11 (0.59) KIF11KCNH2
Trifluoroacetic Acid SCHEMBL4376276 0.88 KIF11 (0.55) KIF11KCNH2
SCHEMBL3881801 0.88 KIF11 (0.65) KIF11KCNH2
SCHEMBL3894544 0.85 KIF11 (0.56) KIF11KCNH2
SCHEMBL3883041 0.85 KIF11 (0.67) KIF11KCNH2
SCHEMBL3863475 0.84 KIF11 (0.61) KIF11KCNH2
SCHEMBL3860346 0.83 KIF11 (0.53) KIF11KCNH2
SCHEMBL3887224 0.83 KIF11 (0.53) KIF11KCNH2
Trifluoroacetic Acid SCHEMBL4363547 0.82 KIF11 (0.56) KIF11KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622468-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-11-24 US claimed
EP-1581497-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-03-18 EP claimed
US-20060058327-A1 Kinesin spindle protein inhibitor; antiproliferative agents; anticancer agents; 4-(2,5-difluorophenyl)-N-3-fluoropyrrolidin-3-yl)-2-hydroxymethyl-2-phenyl-2,5-diphdro-1N-pyrrol-1-carboxamide MERCK SHARP & DOHME CORP. 2006-03-16 US claimed
EP-1581497-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-10-05 EP claimed
WO-2004058148-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2004-07-15 WO claimed
US-7622468-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-11-24 US disclosed
EP-1581497-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-03-18 EP disclosed
US-20060058327-A1 Kinesin spindle protein inhibitor; antiproliferative agents; anticancer agents; 4-(2,5-difluorophenyl)-N-3-fluoropyrrolidin-3-yl)-2-hydroxymethyl-2-phenyl-2,5-diphdro-1N-pyrrol-1-carboxamide MERCK SHARP & DOHME CORP. 2006-03-16 US disclosed
EP-1581497-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-10-05 EP disclosed
WO-2004058148-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2004-07-15 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-20060058327-A1 Kinesin spindle protein inhibitor; antiproliferative agents; anticancer agents; 4-(2,5-difluorophenyl)-N-3-fluoropyrrolidin-3-yl)-2-hydroxymethyl-2-phenyl-2,5-diphdro-1N-pyrrol-1-carboxamide KIF5B, KIF2C, KIFC1 KIF11 10/4885KCNH2 1272/4885

“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.