SCHEMBL13626779

SCHEMBL13626779

CC(=O)c1nc(-c2ccc(C[C@@H](CCO)NC(=O)c3ccc(NC(C)C)c(C#N)c3)cc2F)cn1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.43
PIN1 Q13526 2/20 0.33
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
ACSS2 Q9NR19 1/20 0.32
MET P08581 1/20 0.31
KDM1A O60341 4/20 0.31
S1PR3 Q99500 3/20 0.31
RORC P51449 1/20 0.30
BACE1 P56817 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL3462684 0.89 CENPE (0.53) CENPEPIN1ROCK2ROCK1S1PR3
SCHEMBL13161812 0.89 CENPE (0.53) CENPEPIN1ROCK2ROCK1S1PR3
SCHEMBL13625011 0.88 CENPE (0.57) CENPEROCK2ROCK1KDM1AS1PR3
SCHEMBL13161518 0.88 CENPE (0.57) CENPEROCK2ROCK1KDM1AS1PR3
SCHEMBL3462471 0.88 CENPE (0.57) CENPEROCK2ROCK1KDM1AS1PR3
SCHEMBL3463326 0.87 CENPE (0.49) CENPEROCK2ROCK1METKDM1A
SCHEMBL13161801 0.87 CENPE (0.49) CENPEROCK2ROCK1METKDM1A
SCHEMBL14031375 0.87 CENPE (0.49) CENPEROCK2ROCK1METKDM1A
SCHEMBL3461137 0.80 CENPE (0.44) CENPEPIN1ROCK2ROCK1S1PR1
SCHEMBL13161592 0.80 CENPE (0.44) CENPEPIN1ROCK2ROCK1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 US disclosed
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 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-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885PIN1 1999/4885ROCK2 685/4885

“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.