SCHEMBL3496235

SCHEMBL3496235

Cc1ccc(C(=O)N(CC2CC2)[C@@H](c2nc3ccccc3n2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
KIF11 P52732 7/20 0.52
MAP1LC3B Q9GZQ8 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
KCNH2 Q12809 1/20 0.52
KIF23 Q02241 1/20 0.49
PTAFR P25105 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ALOX5AP P20292 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3496238 1.00 GAA (0.53) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3496284 0.88 GAA (0.57) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3496286 0.88 GAA (0.57) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3493807 0.86 KIF11 (0.58) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3493810 0.86 KIF11 (0.58) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3492860 0.85 KIF11 (0.64) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3492856 0.85 KIF11 (0.64) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3496084 0.85 KIF11 (0.47) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3496081 0.85 KIF11 (0.47) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3494990 0.84 KIF11 (0.71) GAAKIF11MAP1LC3BCYP3A4CYP2C19

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 5 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
US-20100093767-A1 Mitotic Kinase Inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-04-15 US disclosed
US-20100093767-A1 Mitotic Kinase Inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-04-15 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 (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 GAA 1160/4885KIF11 18/4885MAP1LC3B 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.