SCHEMBL3494904

SCHEMBL3494904

Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3n2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.81
KCNH2 Q12809 2/20 0.81
MAP1LC3B Q9GZQ8 2/20 0.81
CYP3A4 P08684 1/20 0.81
CYP2C19 P33261 1/20 0.81
KIF23 Q02241 1/20 0.63
HTT P42858 1/20 0.52

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
SCHEMBL1041439 1.00 KIF11 (0.81) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL12391890 0.96 KIF11 (0.74) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL3496152 0.94 KIF11 (0.80) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL3496153 0.94 KIF11 (0.80) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL1042594 0.94 KIF11 (0.72) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL1042081 0.94 KIF11 (0.72) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL3494860 0.92 KIF11 (0.73) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL3494865 0.92 KIF11 (0.73) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL3493835 0.91 KIF11 (0.68) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL1042303 0.91 KIF11 (0.68) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093767-A1 Mitotic Kinase Inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-04-15 US claimed
WO-2006060737-A2 MITOTIC KINESIN INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-08 WO claimed
US-8008335-B2 Indole and benzimidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-30 US disclosed
US-8008335-B2 Indole and benzimidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-30 US disclosed
US-20100093767-A1 Mitotic Kinase Inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-04-15 US disclosed
US-20080317744-A1 Indole and Benzimidazole Derivatives CHIRON CORPORATION (US) 2008-12-25 US disclosed
US-20080317744-A1 Indole and Benzimidazole Derivatives CHIRON CORPORATION (US) 2008-12-25 US disclosed
WO-2006060737-A2 MITOTIC KINESIN INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-08 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 (2 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-20080317744-A1 Indole and Benzimidazole Derivatives IDO1, IDO2, AADAC KIF11 2578/4885KCNH2 1104/4885MAP1LC3B 2958/4885
US-20100093767-A1 Mitotic Kinase Inhibitors BUB1B, BUB1, PLK1 KIF11 18/4885KCNH2 1639/4885MAP1LC3B 218/4885

“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.