SCHEMBL13637431

SCHEMBL13637431

CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3c[nH]c(C(C)(C)C)n3)c(F)c2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.41
ROCK2 O75116 7/20 0.33
ROCK1 Q13464 6/20 0.33
PIN1 Q13526 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
MME P08473 2/20 0.31
P2RX3 P56373 1/20 0.31
ACSS2 Q9NR19 1/20 0.31

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
SCHEMBL13626813 0.89 CENPE (0.53) CENPEROCK2ROCK1S1PR1S1PR3
SCHEMBL13932429 0.89 CENPE (0.49) CENPEROCK2ROCK1MME
SCHEMBL3462485 0.78 CENPE (0.64) CENPES1PR1S1PR3S1PR5
SCHEMBL13162058 0.78 CENPE (0.64) CENPES1PR1S1PR3S1PR5
SCHEMBL3461182 0.74 DHODH (0.46) CENPEROCK2ROCK1TAS1R3TAS1R1
SCHEMBL13161874 0.74 DHODH (0.46) CENPEROCK2ROCK1TAS1R3TAS1R1
SCHEMBL13637353 0.73 CENPE (0.53) CENPEROCK2ROCK1S1PR1MME
SCHEMBL13161477 0.73 CENPE (0.42) CENPETAS1R3TAS1R1KCNQ3KCNQ2
SCHEMBL3462063 0.73 CENPE (0.42) CENPETAS1R3TAS1R1KCNQ3KCNQ2
SCHEMBL13637408 0.72 CENPE (0.51) CENPEROCK2ROCK1S1PR1MME

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 1 patent. 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

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 54/4885ROCK2 685/4885ROCK1 616/4885

“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.