SCHEMBL3620255

SCHEMBL3620255

CC(=O)N1N=C(c2cccc(Cl)c2)CC1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 1.00
▸ EGFR P00533 4/20 0.74
▸ MAOA P21397 1/20 0.71
▸ MAOB P27338 1/20 0.71
▸ CA12 O43570 2/20 0.66
▸ CA1 P00915 2/20 0.66
▸ CA2 P00918 2/20 0.66
▸ CA9 Q16790 2/20 0.66
▸ ACHE P22303 2/20 0.66
▸ MEN1 O00255 1/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ NT5E P21589 1/20 0.65

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
SCHEMBL1658926 0.87 NT5E (0.82) KIF11EGFRMAOBACHENT5E
SCHEMBL30751943 0.83 MAOA (0.74) KIF11EGFRMAOAMAOBCA12
SCHEMBL1659394 0.81 MAPT (0.81) KIF11EGFRMAOAMAOBCA1
SCHEMBL3624616 0.81 NT5E (0.72) KIF11EGFRMAOAMAOBACHE
SCHEMBL28016739 0.81 KIF11 (0.76) KIF11MAOAMAOBCA12CA1
SCHEMBL28473652 0.80 MAOB (0.79) KIF11EGFRMAOAMAOBACHE
SCHEMBL27790760 0.80 MAOB (0.79) KIF11MAOAMAOBACHENT5E
SCHEMBL14133398 0.79 MAOA (0.68) KIF11EGFRMAOAMAOBCA12
SCHEMBL27276968 0.79 KIF11 (0.74) KIF11MAOAMAOBACHE
SCHEMBL3314530 0.79 MAOB (0.83) EGFRMAOAMAOBACHEKMT2A

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 12 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
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 8/4885EGFR 3877/4885MAOA 4441/4885

“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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