SCHEMBL3853809

SCHEMBL3853809

Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc(-c3ccccc3)c(C)n2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.67
KIF23 Q02241 1/20 0.67
MAP1LC3B Q9GZQ8 2/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C19 P33261 1/20 0.66
KCNH2 Q12809 1/20 0.66
HTT P42858 1/20 0.53

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
SCHEMBL3854449 0.95 KIF11 (0.60) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3856319 0.89 KIF11 (0.56) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5754219 0.89 KIF11 (0.66) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5752668 0.89 KIF11 (0.70) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5755624 0.87 KIF11 (0.66) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4365095 0.86 KIF11 (0.74) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4368820 0.85 KIF11 (0.68) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5752722 0.85 KIF11 (0.63) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL1043385 0.85 KIF11 (0.71) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3494994 0.85 KIF11 (0.71) KIF11KIF23MAP1LC3BCYP3A4CYP2C19

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 23 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 2934/4885KIF23 2878/4885MAP1LC3B 2776/4885
US-20090258016-A1 Substituted imidazole derivatives ABCG2, CYP2C19, AADAC KIF11 2934/4885KIF23 2878/4885MAP1LC3B 2776/4885
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES ABCG2, CYP2C19, AADAC KIF11 2934/4885KIF23 2878/4885MAP1LC3B 2776/4885

“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.