SCHEMBL3624192

SCHEMBL3624192

CC(=O)N1N=C(c2cc(F)ccc2F)CC1c1c[c]ccc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 15/20 0.78
▸ CASP3 P42574 1/20 0.72
▸ KCNH2 Q12809 1/20 0.72
▸ NT5E P21589 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.50
▸ MAOB P27338 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ GAA P10253 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
SCHEMBL3620943 0.88 KIF11 (0.78) KIF11CASP3KCNH2NT5EKDM4E
SCHEMBL3624174 0.88 KIF11 (1.00) KIF11CASP3KCNH2NT5EMAOB
SCHEMBL3625650 0.84 KIF11 (1.00) KIF11CASP3KCNH2MAOB
SCHEMBL17323004 0.84 KIF11 (0.80) KIF11CASP3KCNH2NT5EKDM4E
SCHEMBL17151556 0.84 KIF11 (1.00) KIF11CASP3KCNH2MAOB
SCHEMBL3624468 0.83 KIF11 (0.55) KIF11CASP3KCNH2NT5EKDM4E
SCHEMBL3623088 0.81 KIF11 (0.65) KIF11MAOB
SCHEMBL3624793 0.79 KIF11 (0.78) KIF11KDM4EMAOBGAA
SCHEMBL3620839 0.78 KIF11 (0.48) KIF11CASP3KCNH2MAOB
SCHEMBL3627291 0.77 KIF11 (0.65) KIF11KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119484-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-06-02 — — US 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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