SCHEMBL3496286

SCHEMBL3496286

CCN(C(=O)c1ccc(C)cc1)C(c1nc2ccccc2n1Cc1ccccc1)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
KIF11 P52732 9/20 0.55
MAP1LC3B Q9GZQ8 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
KCNH2 Q12809 1/20 0.55
KIF23 Q02241 1/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALOX5AP P20292 1/20 0.48
TSHR P16473 1/20 0.47
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL3496284 1.00 GAA (0.57) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3493807 0.92 KIF11 (0.58) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3493810 0.92 KIF11 (0.58) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3492860 0.90 KIF11 (0.64) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3492856 0.90 KIF11 (0.64) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3496238 0.88 GAA (0.53) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL1043385 0.88 KIF11 (0.71) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3494990 0.88 KIF11 (0.71) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3494994 0.88 KIF11 (0.71) GAAKIF11MAP1LC3BCYP3A4CYP2C19
SCHEMBL3496235 0.88 GAA (0.53) 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 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
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

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.