SCHEMBL6045440

SCHEMBL6045440

CN1CCCCC1N(C)C(=O)N1CC(c2cc(F)ccc2F)=CC(c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.51
KIF11 P52732 17/20 0.51

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
SCHEMBL4378249 0.85 KCNH2 (0.71) KCNH2KIF11
SCHEMBL3883041 0.84 KIF11 (0.67) KCNH2KIF11
SCHEMBL3887224 0.80 KIF11 (0.53) KCNH2KIF11
SCHEMBL3884591 0.80 KIF11 (0.62) KCNH2KIF11
SCHEMBL3881283 0.80 KIF11 (0.59) KCNH2KIF11
SCHEMBL3881801 0.79 KIF11 (0.65) KCNH2KIF11
SCHEMBL3863475 0.77 KIF11 (0.61) KCNH2KIF11
SCHEMBL3894544 0.77 KIF11 (0.56) KCNH2KIF11
SCHEMBL3894868 0.76 KIF11 (0.67) KCNH2KIF11
Trifluoroacetic Acid SCHEMBL4364775 0.76 KIF11 (0.55) KCNH2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KCNH2 1272/4885KIF11 10/4885

“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.