SCHEMBL3229432

SCHEMBL3229432

CCn1cc(-c2ccc(C[C@@H](CNC(=O)CNC)NC(=O)c3ccc(O[C@H](C)C(F)(F)F)c(Cl)c3)cc2)nc1C(C)(C)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.49
KIFC1 Q9BW19 1/20 0.36
DHODH Q02127 8/20 0.36
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
RORC P51449 1/20 0.33
NPC1 O15118 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
S1PR1 P21453 2/20 0.31
P2RX3 P56373 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
SCHEMBL3229438 1.00 CENPE (0.49) CENPEKIFC1DHODHPDK1PDK2
SCHEMBL3230216 0.93 CENPE (0.49) CENPEKIFC1DHODHPDK1PDK2
SCHEMBL3222007 0.93 CENPE (0.49) CENPEKIFC1DHODHPDK1PDK2
SCHEMBL3222019 0.93 CENPE (0.49) CENPEKIFC1DHODHPDK1PDK2
SCHEMBL3230227 0.93 CENPE (0.49) CENPEKIFC1DHODHPDK1PDK2
SCHEMBL3233280 0.92 CENPE (0.59) CENPEKIFC1DHODHPDK1PDK2
SCHEMBL3233756 0.91 CENPE (0.47) CENPEKIFC1DHODHS1PR1
SCHEMBL3233612 0.89 CENPE (0.44) CENPEKIFC1DHODHPDK1PDK2
SCHEMBL3221828 0.88 CENPE (0.46) CENPEKIFC1DHODH
SCHEMBL13625028 0.88 CENPE (0.46) CENPEKIFC1DHODHPDK1PDK2

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
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP claimed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US claimed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO 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-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 (2 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 4/4885DHODH 1141/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885DHODH 1141/4885

“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.