SCHEMBL3626735

SCHEMBL3626735

CN(C)C(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 16/20 1.00
▸ CASP3 P42574 1/20 0.62
▸ KCNH2 Q12809 1/20 0.62
▸ NT5E P21589 1/20 0.54
▸ MAOB P27338 1/20 0.49

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
SCHEMBL13183380 0.90 KIF11 (0.82) KIF11CASP3KCNH2MAOB
SCHEMBL3624136 0.89 KIF11 (0.81) KIF11CASP3KCNH2
SCHEMBL3620275 0.88 KIF11 (0.79) KIF11CASP3KCNH2NT5EMAOB
SCHEMBL3624174 0.87 KIF11 (1.00) KIF11CASP3KCNH2NT5EMAOB
SCHEMBL16768161 0.86 KIF11 (0.75) KIF11CASP3KCNH2NT5E
SCHEMBL3616984 0.85 KIF11 (0.79) KIF11CASP3KCNH2NT5EMAOB
SCHEMBL3616992 0.81 KIF11 (0.72) KIF11CASP3KCNH2NT5E
SCHEMBL3614716 0.81 KIF11 (0.72) KIF11CASP3KCNH2NT5E
SCHEMBL4129751 0.80 KIF11 (0.67) KIF11CASP3KCNH2NT5EMAOB
SCHEMBL3620833 0.79 KIF11 (0.69) KIF11CASP3KCNH2NT5EMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745639-B2 Mitotic kinesin inhibitors MERCK & CO., INC. (US) 2010-06-29 — — US claimed
EP-1492487-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-11-11 — — EP claimed
EP-1492487-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-11 — — EP claimed
US-20050119484-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-06-02 — — US claimed
EP-1492487-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-01-05 — — EP claimed
WO-2003079973-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-10-02 — — WO claimed
WO-2010110400-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-09-30 — — WO disclosed
US-7745639-B2 Mitotic kinesin inhibitors MERCK & CO., INC. (US) 2010-06-29 — — US disclosed
EP-1492487-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-11-11 — — EP disclosed
EP-1492487-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-11 — — EP disclosed
US-20050119484-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-06-02 — — US disclosed
EP-1492487-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-01-05 — — EP disclosed
WO-2003079973-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-10-02 — — 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-20050119484-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF23 KIF11 8/4885CASP3 2677/4885KCNH2 1656/4885

“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.

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