SCHEMBL3461739

SCHEMBL3461739

Cc1cccn2c(F)c(-c3ccc(C[C@@H](CCO)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)nc12.Cc1cccn2c(F)c(-c3ccc(C[C@@H](CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(C[C@@H](CN4CCOCC4)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(C[C@@H](CO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.67
HRH3 Q9Y5N1 2/20 0.33
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 5/20 0.32
HPGD P15428 4/20 0.32
HSD17B10 Q99714 4/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
S1PR1 P21453 5/20 0.32
AVPR1B P47901 1/20 0.30
CASP1 P29466 2/20 0.30
CASP7 P55210 2/20 0.30
GLA P06280 1/20 0.30
MAPK1 P28482 1/20 0.30
ENPP2 Q13822 2/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL14859905 0.94 CENPE (0.59) CENPE
SCHEMBL2104554 0.84 CENPE (0.62) CENPEHRH3KDM4EALDH1A1HPGD
SCHEMBL2105380 0.83 CENPE (0.73) CENPEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9958902 0.83 CENPE (0.65) CENPEKDM4EALDH1A1HPGDMAPT
SCHEMBL3461382 0.82 CENPE (1.00) CENPEHRH3KDM4EALDH1A1HPGD
SCHEMBL2105059 0.82 CENPE (1.00) CENPEHRH3KDM4EALDH1A1HPGD
SCHEMBL2105002 0.81 CENPE (0.58) CENPEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2104176 0.80 CENPE (0.80) CENPEHRH3KDM4EALDH1A1HPGD
SCHEMBL3462266 0.80 CENPE (0.80) CENPEHRH3KDM4EALDH1A1HPGD
SCHEMBL2106041 0.79 CENPE (0.85) CENPEKDM4EALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 US disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 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-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885HRH3 2581/4885KDM4E 3267/4885

“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.