SCHEMBL398975

SCHEMBL398975

N#Cc1c(-c2ccccc2)nc(-c2ccc(-c3nc(-c4ccccc4)c(C#N)c(-c4ccccc4)c3C#N)cc2)c(C#N)c1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.62
ADORA2A P29274 11/20 0.61
GRM5 P41594 6/20 0.58
HSD17B10 Q99714 1/20 0.54
ADORA2B P29275 1/20 0.53
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL17439172 0.93 ADORA1 (0.56) ADORA1ADORA2AGRM5HSD17B10ADORA2B
SCHEMBL396360 0.91 ADORA1 (0.69) ADORA1ADORA2AGRM5ADORA2BALDH1A1
SCHEMBL395158 0.91 GRM5 (0.56) ADORA1ADORA2AGRM5HSD17B10ADORA2B
SCHEMBL24577294 0.88 ADORA1 (0.51) ADORA1ADORA2AGRM5HSD17B10ADORA2B
SCHEMBL10270250 0.87 GRM5 (0.55) ADORA1ADORA2AGRM5ADORA2BALDH1A1
SCHEMBL10270112 0.87 GRM5 (0.55) ADORA1ADORA2AGRM5ADORA2BALDH1A1
SCHEMBL399546 0.82 GRM5 (0.51) ADORA1ADORA2AGRM5ADORA2BALDH1A1
SCHEMBL396579 0.82 GRM5 (0.51) ADORA1ADORA2AGRM5ADORA2B
SCHEMBL395677 0.81 ADORA1 (0.66) ADORA1ADORA2AGRM5ADORA2BALDH1A1
SCHEMBL12681373 0.80 ALDH1A1 (0.55) ADORA1ADORA2AHSD17B10ALDH1A1HPGD

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 ADORA1 3214/4885ADORA2A 2414/4885GRM5 2939/4885

“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.