SCHEMBL3494994

SCHEMBL3494994

Cc1ccc(C(=O)N(CCCN)C(c2nc3ccccc3n2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 0.71
MAP1LC3B Q9GZQ8 2/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C19 P33261 1/20 0.71
KCNH2 Q12809 1/20 0.71
KIF23 Q02241 1/20 0.68
HTT P42858 1/20 0.53
GAA P10253 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
SCHEMBL1043385 1.00 KIF11 (0.71) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3494990 1.00 KIF11 (0.71) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3492860 0.95 KIF11 (0.64) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3492856 0.95 KIF11 (0.64) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3494844 0.94 KIF11 (0.73) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3494839 0.94 KIF11 (0.73) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1042594 0.93 KIF11 (0.72) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1042081 0.93 KIF11 (0.72) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1041038 0.93 KIF11 (0.69) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3494501 0.93 KIF11 (0.69) 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 4 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-20100093767-A1 Mitotic Kinase Inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-04-15 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 (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-20100093767-A1 Mitotic Kinase Inhibitors BUB1B, BUB1, PLK1 KIF11 18/4885MAP1LC3B 218/4885CYP3A4 4581/4885

“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.