SCHEMBL14960637

SCHEMBL14960637

Cn1ncnc1C#Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.45
APP P05067 1/20 0.44
ADORA2A P29274 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL12277252 0.77 ABL1 (0.47) GRM5APPADORA2AADORA3ADORA1
SCHEMBL6202593 0.70 HAO1 (0.48) GRM5APP
Diphenylacetylene SCHEMBL68254 0.67 APP (1.00) GRM5APP
Diphenylacetylene SCHEMBL960609 0.67 APP (1.00) GRM5APP
Diphenylacetylene SCHEMBL29188592 0.67 APP (1.00) GRM5APP
SCHEMBL6289336 0.67 GRM5 (0.50) GRM5APP
SCHEMBL17705931 0.66 GRM5 (0.62) GRM5APPADORA2A
SCHEMBL9430361 0.65 APP (0.48) GRM5APP
Diphenylacetylene SCHEMBL23754283 0.65 APP (0.80) GRM5APP
Diphenylacetylene SCHEMBL28297812 0.65 APP (0.80) GRM5APPADORA2A

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 GRM5 2925/4885APP 1779/4885ADORA2A 3335/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E GRM5 2934/4885APP 1739/4885ADORA2A 3299/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E GRM5 2934/4885APP 1739/4885ADORA2A 3299/4885

“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.