Sugi Predict

Sugi Predict / Compounds / SCHEMBL3852950

SCHEMBL3852950

SCHEMBL3852950

COc1cccc(-c2cn(Cc3ccccc3)c([C@@H](C(C)C)N(CCCN)C(=O)c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 13/20 0.45
▸ MAP1LC3B Q9GZQ8 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ KIF23 Q02241 1/20 0.44
▸ HTT P42858 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ WDR5 P61964 1/20 0.38
▸ MDM2 Q00987 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL3854434 0.93 KIF11 (0.48) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1385347 0.91 KIF11 (0.54) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3849052 0.91 KIF11 (0.52) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3851458 0.90 KIF11 (0.46) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3859494 0.87 KIF11 (0.52) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3848754 0.87 KIF11 (0.54) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3851583 0.85 KIF11 (0.42) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3856095 0.84 KIF11 (0.52) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3849586 0.83 KIF11 (0.53) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3851897 0.83 KIF11 (0.57) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 — — US claimed
EP-1765789-B1 N-(1-(1-BENZYL-4-PHENYL-1H-IMIDAZOL-2-YL)-2,2-DIMETHYLPROPYL)BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2013-02-27 — — EP claimed
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES CHIRON CORPORATION 2013-01-17 — — US claimed
US-8318791-B2 Substituted imidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-11-27 — — US claimed
US-20090258016-A1 Substituted imidazole derivatives WANG WEIBO 2009-10-15 — — US claimed
US-7576221-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide; kinesin-related proteins (KRP) inhibitors; anticarcinogenic agent NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-08-18 — — US claimed
US-20060009472-A1 Substituted imidazole derivatives CHIRON CORPORATION 2006-01-12 — — US claimed
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 — — US disclosed
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 — — US disclosed
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 — — US disclosed
EP-1765789-B1 N-(1-(1-BENZYL-4-PHENYL-1H-IMIDAZOL-2-YL)-2,2-DIMETHYLPROPYL)BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2013-02-27 — — EP disclosed
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES CHIRON CORPORATION 2013-01-17 — — US disclosed
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES CHIRON CORPORATION 2013-01-17 — — US disclosed
US-20090258016-A1 Substituted imidazole derivatives WANG WEIBO 2009-10-15 — — US disclosed
US-20090258016-A1 Substituted imidazole derivatives WANG WEIBO 2009-10-15 — — US disclosed
US-20090258016-A1 Substituted imidazole derivatives WANG WEIBO 2009-10-15 — — US disclosed
US-7576221-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide; kinesin-related proteins (KRP) inhibitors; anticarcinogenic agent NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-08-18 — — US disclosed
US-7576221-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide; kinesin-related proteins (KRP) inhibitors; anticarcinogenic agent NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-08-18 — — US disclosed
US-7576221-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide; kinesin-related proteins (KRP) inhibitors; anticarcinogenic agent NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-08-18 — — US disclosed
US-20060009472-A1 Substituted imidazole derivatives CHIRON CORPORATION 2006-01-12 — — 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-20060009472-A1 Substituted imidazole derivatives ABCG2, CYP2C19, AADAC KIF11 2934/4885MAP1LC3B 2776/4885CYP3A4 8/4885
US-20090258016-A1 Substituted imidazole derivatives ABCG2, CYP2C19, AADAC KIF11 2934/4885MAP1LC3B 2776/4885CYP3A4 8/4885
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES ABCG2, CYP2C19, AADAC KIF11 2934/4885MAP1LC3B 2776/4885CYP3A4 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.