SCHEMBL2690643

SCHEMBL2690643

CC[C@@]12COCCN1c1nc(-c3cn[nH]c3-c3ccc(F)cc3F)ncc1-n1c(C)nnc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.44
PLK2 Q9NYY3 1/20 0.44
ALDH1A1 P00352 4/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MTOR P42345 12/20 0.34
RICTOR Q6R327 12/20 0.34
MAPKAP1 Q9BPZ7 12/20 0.34
MLST8 Q9BVC4 12/20 0.34
CYP2C8 P10632 3/20 0.32
GAA P10253 2/20 0.32
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.30
LMNA P02545 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
SCHEMBL2688176 1.00 PLK1 (0.44) PLK1PLK2ALDH1A1CYP2C9CYP3A4
SCHEMBL2692597 0.89 PLK1 (0.44) PLK1PLK2ALDH1A1CYP2C9CYP3A4
SCHEMBL2687990 0.89 PLK1 (0.44) PLK1PLK2ALDH1A1CYP2C9CYP3A4
SCHEMBL2046885 0.84 PLK1 (0.56) PLK1PLK2CYP2C9MTORRICTOR
SCHEMBL2046892 0.84 PLK1 (0.56) PLK1PLK2CYP2C9MTORRICTOR
SCHEMBL2338275 0.84 PLK1 (0.56) PLK1PLK2CYP2C9MTORRICTOR
SCHEMBL2690354 0.83 MAPK14 (0.31) MTORRICTORMAPKAP1MLST8
SCHEMBL1688676 0.83 MAPK14 (0.31) MTORRICTORMAPKAP1MLST8
SCHEMBL2689522 0.82 PLK1 (0.47) PLK1PLK2CYP2C9MTORRICTOR
SCHEMBL2689499 0.82 PLK1 (0.47) PLK1PLK2CYP2C9MTORRICTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2012048129-A2 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2012-04-12 WO 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-20120115848-A1 Inhibitors of Polo-Like Kinase PLK1, POLR2E, POLR2H PLK1 1/4885PLK2 19/4885ALDH1A1 3920/4885

“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.