SCHEMBL12320161

SCHEMBL12320161

Cn1ccnc1-c1cccc(-n2cncn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
GRK6 P43250 1/20 0.39
NMT1 P30419 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
MAPK10 P53779 1/20 0.37
RIPK2 O43353 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
PIM1 P11309 1/20 0.36
CHRNA7 P36544 1/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL12277814 0.84 CYP2A6 (0.42) CYP2A6GRK6MAPK10CYP1A2CYP2D6
SCHEMBL14960622 0.82 ERCC1 (0.46) NMT1RIPK2LMNAMEN1ALDH1A1
SCHEMBL14412223 0.77 NMT1 (0.52) NMT1CCNCCDK8RIPK2PRKDC
SCHEMBL14961825 0.77 CYP2A6 (0.51) CYP2A6GRK6MAPK10CYP1A2CYP2D6
SCHEMBL9454459 0.76 CYP2A6 (0.53) CYP2A6GRK6CYP1A2CYP2D6CYP2C9
SCHEMBL23514344 0.75 CYP2A6 (0.53) CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4612065 0.75 CYP2A6 (0.51) CYP2A6GRK6MAPK10LMNAPIM1
SCHEMBL12759448 0.74 TGFBR1 (0.48) NMT1RIPK2MEN1ALDH1A1KMT2A
SCHEMBL27972179 0.74 CYP2A6 (0.47) CYP2A6GRK6MAPK10CYP1A2CYP2D6
SCHEMBL11926858 0.74 CYP2A6 (0.62) CYP2A6GRK6MAPK10CYP1A2CYP2D6

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-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

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 CYP2A6 4377/4885GRK6 435/4885NMT1 3837/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E CYP2A6 4421/4885GRK6 440/4885NMT1 3904/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E CYP2A6 4421/4885GRK6 440/4885NMT1 3904/4885

“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.