SCHEMBL3495314

SCHEMBL3495314

CCC(c1nc2ccccc2n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)cc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 20/20 0.73

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
SCHEMBL3495310 1.00 KIF11 (0.73) KIF11
SCHEMBL1041861 0.91 KIF11 (0.69) KIF11
SCHEMBL1042900 0.90 KIF11 (0.68) KIF11
SCHEMBL3493238 0.89 KIF11 (0.59) KIF11
SCHEMBL3493245 0.89 KIF11 (0.59) KIF11
SCHEMBL1043385 0.88 KIF11 (0.71) KIF11
SCHEMBL3494990 0.88 KIF11 (0.71) KIF11
SCHEMBL3494994 0.88 KIF11 (0.71) KIF11
SCHEMBL1043725 0.85 KIF11 (0.70) KIF11
SCHEMBL13742274 0.83 KIF11 (0.78) KIF11

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 3 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
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 18/4885

“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.