SCHEMBL6911269

SCHEMBL6911269

CC(C)c1ccncc1CN

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 9/20 0.51
AOC3 Q16853 9/20 0.51
LOXL2 Q9Y4K0 2/20 0.47
RPS6KA3 P51812 1/20 0.39
CYP2E1 P05181 4/20 0.37
CYP2C8 P10632 4/20 0.37
CYP2D6 P10635 4/20 0.37
CYP2A6 P11509 4/20 0.37
CYP2B6 P20813 4/20 0.37
CYP2C19 P33261 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP3A4 P08684 2/20 0.36

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
SCHEMBL10188339 0.82 LMNA (0.41) AOC1AOC3RPS6KA3CYP2E1CYP2C8
SCHEMBL14485323 0.80 RPS6KA3 (0.39) AOC1AOC3RPS6KA3
SCHEMBL5106106 0.80 RPS6KA3 (0.42) AOC1AOC3RPS6KA3CYP2A6
SCHEMBL25467910 0.78 CYP2E1 (0.41) AOC1AOC3RPS6KA3CYP2E1CYP2C8
SCHEMBL20959793 0.77 SLC6A2 (0.42) AOC1AOC3RPS6KA3CYP2D6CYP2A6
SCHEMBL6118356 0.76 RPS6KA3 (0.36) AOC1AOC3RPS6KA3
SCHEMBL827231 0.76 TDP1 (0.40) AOC1AOC3RPS6KA3CYP2E1CYP2C8
SCHEMBL23685996 0.74 RPS6KA3 (0.36) AOC1AOC3RPS6KA3
SCHEMBL21652558 0.73 AOC3 (0.38) AOC1AOC3LOXL2
SCHEMBL269127 0.73 RPS6KA3 (0.46) AOC1AOC3RPS6KA3CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 US disclosed
WO-2011079114-A1 PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2011-06-30 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 (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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E AOC1 3139/4885AOC3 2276/4885LOXL2 2334/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E AOC1 3334/4885AOC3 2399/4885LOXL2 2404/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E AOC1 3334/4885AOC3 2399/4885LOXL2 2404/4885

“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.