SCHEMBL4028780

SCHEMBL4028780

CN1CC[C@@H](N(C)C(=O)N2CC(c3cc(F)ccc3F)=C[C@H]2c2ccccc2)[C@@H](F)C1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.76
KIF11 P52732 17/20 0.68

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
SCHEMBL1381682 1.00 KCNH2 (0.76) KCNH2KIF11
SCHEMBL1381684 1.00 KCNH2 (0.76) KCNH2KIF11
SCHEMBL1929825 1.00 KCNH2 (0.76) KCNH2KIF11
SCHEMBL1929829 1.00 KCNH2 (0.76) KCNH2KIF11
SCHEMBL6529273 1.00 KCNH2 (0.76) KCNH2KIF11
SCHEMBL4057149 0.88 KCNH2 (0.89) KCNH2KIF11
SCHEMBL13655871 0.88 KCNH2 (0.89) KCNH2KIF11
SCHEMBL4062744 0.88 KCNH2 (0.89) KCNH2KIF11
SCHEMBL4058089 0.86 KCNH2 (1.00) KCNH2KIF11
SCHEMBL4058145 0.82 KIF11 (1.00) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664026-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-01-21 EP claimed
US-7465746-B2 Fluorinated 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP MERCK & CO., INC. (US) 2008-12-16 US claimed
WO-2005019205-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-03-03 WO claimed
US-20050043357-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-02-24 US claimed
US-20050038074-A1 Mitotic kinesin inhibitors COLEMAN PAUL J (US) 2005-02-17 US claimed
EP-1664026-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-01-21 EP disclosed
EP-1664026-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-01-21 EP disclosed
US-7465746-B2 Fluorinated 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP MERCK & CO., INC. (US) 2008-12-16 US disclosed
US-7465746-B2 Fluorinated 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP MERCK & CO., INC. (US) 2008-12-16 US disclosed
US-7465746-B2 Fluorinated 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP MERCK & CO., INC. (US) 2008-12-16 US disclosed
US-20060234984-A1 Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator MERCK & CO., INC. 2006-10-19 US disclosed
EP-1664026-A1 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-06-07 EP disclosed
WO-2005019206-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-03-03 WO disclosed
WO-2005019205-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-03-03 WO disclosed
US-20050043357-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-02-24 US disclosed
US-20050038074-A1 Mitotic kinesin inhibitors COLEMAN PAUL J (US) 2005-02-17 US 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 (3 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-20060234984-A1 Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator KIF5B, KIF2C, KIF5C KCNH2 918/4885KIF11 10/4885
US-20050043357-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B KCNH2 1533/4885KIF11 8/4885
US-20050038074-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B KCNH2 1533/4885KIF11 8/4885

“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.