SCHEMBL3221828

SCHEMBL3221828

CCn1cc(-c2ccc(C[C@H](CNC(=O)CN3CCOCC3)NC(=O)c3ccc(O[C@H](C)C(F)(F)F)c(Cl)c3)cc2)nc1C(C)(C)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 2/20 0.46
AVPR1B P47901 9/20 0.39
DHODH Q02127 1/20 0.35
WNT3A P56704 5/20 0.34
KIFC1 Q9BW19 1/20 0.34
KMT2A Q03164 1/20 0.33
ACVR1 Q04771 1/20 0.33

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
SCHEMBL3233694 0.94 CENPE (0.52) CENPEAVPR1BWNT3AKIFC1
SCHEMBL3233756 0.94 CENPE (0.47) CENPEAVPR1BDHODHKIFC1
SCHEMBL3233700 0.90 CENPE (0.43) CENPEAVPR1BWNT3AKMT2AACVR1
SCHEMBL3230227 0.89 CENPE (0.49) CENPEDHODHKIFC1
SCHEMBL3230216 0.89 CENPE (0.49) CENPEDHODHKIFC1
SCHEMBL3229432 0.88 CENPE (0.49) CENPEDHODHKIFC1
SCHEMBL3229438 0.88 CENPE (0.49) CENPEDHODHKIFC1
SCHEMBL3220019 0.88 CENPE (0.48) CENPEAVPR1BDHODHWNT3AKIFC1
SCHEMBL3220035 0.88 CENPE (0.48) CENPEAVPR1BDHODHWNT3AKIFC1
SCHEMBL3233280 0.88 CENPE (0.59) CENPEDHODHKIFC1

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 6 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-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 54/4885AVPR1B 4801/4885DHODH 1141/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885AVPR1B 4801/4885DHODH 1141/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885AVPR1B 4801/4885DHODH 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.