SCHEMBL394288

SCHEMBL394288

CC(C)(C)c1ccc(-c2nc(-c3ccccc3)c(C#N)c(-c3cccc(-c4c(C#N)c(-c5ccccc5)nc(-c5ccc(C(C)(C)C)cc5)c4C#N)c3)c2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.49
ADORA1 P30542 16/20 0.47
ADORA2A P29274 10/20 0.46
ADORA2B P29275 4/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL396579 0.96 GRM5 (0.51) GRM5ADORA1ADORA2AADORA2BKDM4E
SCHEMBL10270112 0.93 GRM5 (0.55) GRM5ADORA1ADORA2AADORA2BKDM4E
SCHEMBL10270250 0.93 GRM5 (0.55) GRM5ADORA1ADORA2AADORA2BKDM4E
SCHEMBL10216702 0.89 GRM5 (0.42) GRM5ADORA1ADORA2AADORA2BKDM4E
SCHEMBL399546 0.88 GRM5 (0.51) GRM5ADORA1ADORA2AADORA2BKDM4E
SCHEMBL397908 0.87 GRM5 (0.50) GRM5ADORA1ADORA2AADORA2BKDM4E
SCHEMBL10216643 0.86 GRM5 (0.43) GRM5ADORA1ADORA2AADORA2BKDM4E
SCHEMBL397838 0.83 ADORA1 (0.53) ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL396779 0.83 ADORA1 (0.51) ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL10216687 0.82 GRM5 (0.46) GRM5ADORA1ADORA2AADORA2BKDM4E

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-8101290-B2 Organic compound having electron-transporting and/or hole-blocking performance and its use and OLEDs comprising the compound TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2012-01-24 US disclosed
US-8101290-B2 Organic compound having electron-transporting and/or hole-blocking performance and its use and OLEDs comprising the compound TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2012-01-24 US disclosed
US-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2009-04-23 US disclosed
US-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2009-04-23 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 (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-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND SLCO4C1, SLCO1B1, SLCO2B1 GRM5 2939/4885ADORA1 3214/4885ADORA2A 2414/4885

“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.