SCHEMBL13637263

SCHEMBL13637263

Cc1cccn2c(F)c(-c3ccc(C[C@@H](CCO)NC(=O)c4ccc(OC(C)C)c(N)c4)cc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.58
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RCE1 Q9Y256 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MME P08473 2/20 0.34
NAMPT P43490 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MMEL1 Q495T6 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
PPARG P37231 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
SCHEMBL14050194 0.91 CENPE (0.58) CENPEKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2105002 0.91 CENPE (0.58) CENPEKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2105380 0.89 CENPE (0.73) CENPEKMT2AMEN1MAPTPPARG
SCHEMBL3223127 0.85 CENPE (0.49) CENPEKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2106654 0.84 CENPE (0.59) CENPEKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2104466 0.81 CENPE (0.73) CENPEPPARG
SCHEMBL4560097 0.81 CENPE (0.56) CENPEKMT2AMEN1CYP1A2CYP3A4
SCHEMBL13183920 0.79 CENPE (0.71) CENPEKMT2AMEN1MAPTMME
SCHEMBL3229180 0.79 CENPE (0.65) CENPEKMT2AMEN1CYP1A2CYP3A4
SCHEMBL13183958 0.78 CENPE (0.69) CENPEKMT2AMEN1MAPTMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US disclosed
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 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

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-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885KMT2A 1501/4885MEN1 1302/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885KMT2A 1501/4885MEN1 1302/4885

“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.