SCHEMBL3233244

SCHEMBL3233244

CCCn1cc(-c2ccc(C[C@@H](CCO)NC(=O)c3ccc(O[C@H](C)C(F)(F)F)c(Cl)c3)cc2)nc1[C@@H](C)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.44
RORC P51449 1/20 0.37
KIFC1 Q9BW19 1/20 0.36
TAS1R3 Q7RTX0 4/20 0.35
TAS1R1 Q7RTX1 4/20 0.35
NPC1 O15118 1/20 0.35
S1PR1 P21453 4/20 0.33
DHODH Q02127 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ACACB O00763 1/20 0.32
ROCK2 O75116 1/20 0.31
PRKACA P17612 1/20 0.31
RPS6KB1 P23443 1/20 0.31
IRAK1 P51617 1/20 0.31
PRKX P51817 1/20 0.31
LIMK1 P53667 1/20 0.31
PRKG2 Q13237 1/20 0.31
ROCK1 Q13464 1/20 0.31
PRKG1 Q13976 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
SCHEMBL3224699 0.95 CENPE (0.45) CENPERORCKIFC1TAS1R3TAS1R1
SCHEMBL14873567 0.95 CENPE (0.45) CENPERORCKIFC1TAS1R3TAS1R1
SCHEMBL368370 0.95 CENPE (0.45) CENPERORCKIFC1TAS1R3TAS1R1
SCHEMBL13161460 0.95 CENPE (0.45) CENPERORCKIFC1TAS1R3TAS1R1
SCHEMBL4441927 0.95 CENPE (0.45) CENPERORCKIFC1TAS1R3TAS1R1
SCHEMBL4441924 0.95 CENPE (0.45) CENPERORCKIFC1TAS1R3TAS1R1
SCHEMBL3462539 0.93 CENPE (0.51) CENPEKIFC1TAS1R3TAS1R1NPC1
SCHEMBL13161453 0.93 CENPE (0.51) CENPEKIFC1TAS1R3TAS1R1NPC1
SCHEMBL3228885 0.92 CENPE (0.46) CENPERORCKIFC1TAS1R3TAS1R1
SCHEMBL2102628 0.92 CENPE (0.46) CENPERORCKIFC1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US claimed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US claimed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 US claimed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 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 (3 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 CENPE 54/4885RORC 1743/4885KIFC1 4/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885RORC 1743/4885KIFC1 4/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885RORC 1743/4885KIFC1 4/4885

“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.