SCHEMBL3225151

SCHEMBL3225151

CNC(=O)C[C@H](Cc1ccc(-c2cn(C)c(C(C)=O)n2)cc1)NC(=O)c1ccc(O[C@H](C)C(F)(F)F)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.45
KIFC1 Q9BW19 1/20 0.37
RORC P51449 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
DHODH Q02127 1/20 0.34
P2RX3 P56373 4/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
MME P08473 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
MMEL1 Q495T6 1/20 0.32
S1PR1 P21453 1/20 0.31
HDAC4 P56524 2/20 0.31
HDAC6 Q9UBN7 2/20 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
SCHEMBL3231694 0.95 CENPE (0.45) CENPEKIFC1RORCTAS1R3TAS1R1
SCHEMBL3233562 0.93 CENPE (0.45) CENPEKIFC1RORCTAS1R3TAS1R1
SCHEMBL3460595 0.93 CENPE (0.45) CENPEKIFC1RORCTAS1R3TAS1R1
SCHEMBL3228189 0.92 CENPE (0.52) CENPEKIFC1TAS1R3TAS1R1P2RX3
SCHEMBL3229642 0.91 CENPE (0.46) CENPEKIFC1RORCTAS1R3TAS1R1
SCHEMBL2617427 0.90 CENPE (0.47) CENPEKIFC1RORCTAS1R3TAS1R1
SCHEMBL3228894 0.90 CENPE (0.47) CENPEKIFC1RORCTAS1R3TAS1R1
SCHEMBL3213587 0.90 CENPE (0.47) CENPEKIFC1RORCTAS1R3TAS1R1
SCHEMBL3461049 0.90 CENPE (0.47) CENPEKIFC1RORCTAS1R3TAS1R1
SCHEMBL3229267 0.89 DHODH (0.45) CENPEKIFC1RORCTAS1R3TAS1R1

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 7 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
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 US disclosed
US-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 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 54/4885KIFC1 4/4885RORC 1743/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885RORC 1743/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885RORC 1743/4885

“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.