SCHEMBL3616992

SCHEMBL3616992

O=C(N1CCCC1)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 17/20 0.72
▸ CASP3 P42574 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ NT5E P21589 1/20 0.50

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
SCHEMBL3614716 0.98 KIF11 (0.72) KIF11CASP3KCNH2NT5E
SCHEMBL3618256 0.91 KIF11 (0.69) KIF11CASP3KCNH2NT5E
SCHEMBL3620833 0.91 KIF11 (0.69) KIF11CASP3KCNH2NT5E
SCHEMBL13315413 0.86 KIF11 (0.68) KIF11CASP3KCNH2NT5E
SCHEMBL3624174 0.84 KIF11 (1.00) KIF11CASP3KCNH2NT5E
SCHEMBL3616984 0.84 KIF11 (0.79) KIF11CASP3KCNH2NT5E
SCHEMBL3626735 0.81 KIF11 (1.00) KIF11CASP3KCNH2NT5E
SCHEMBL5672186 0.81 KIF11 (0.71) KIF11CASP3KCNH2
SCHEMBL3624468 0.80 KIF11 (0.55) KIF11CASP3KCNH2NT5E
SCHEMBL5671359 0.80 KIF11 (0.63) KIF11CASP3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7745639-B2 Mitotic kinesin inhibitors MERCK & CO., INC. (US) 2010-06-29 — — US disclosed
US-20050119484-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-06-02 — — 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 (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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