SCHEMBL396360

SCHEMBL396360

Cc1ccc(-c2nc(-c3ccccc3)c(C#N)c(-c3ccc(-c4c(C#N)c(-c5ccccc5)nc(-c5ccc(C)cc5)c4C#N)cc3)c2C#N)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.69
ADORA2A P29274 6/20 0.69
ADORA2B P29275 1/20 0.66
GRM5 P41594 6/20 0.56
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
ALDH1A1 P00352 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
THRB P10828 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 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
SCHEMBL398975 0.91 ADORA1 (0.62) ADORA1ADORA2AADORA2BGRM5HPGD
SCHEMBL395677 0.90 ADORA1 (0.66) ADORA1ADORA2AADORA2BGRM5TDP1
SCHEMBL10216682 0.88 ADORA1 (0.56) ADORA1ADORA2AADORA2BGRM5TDP1
SCHEMBL17439172 0.85 ADORA1 (0.56) ADORA1ADORA2AADORA2BGRM5
SCHEMBL395158 0.83 GRM5 (0.56) ADORA1ADORA2AADORA2BGRM5ALDH1A1
SCHEMBL10270250 0.83 GRM5 (0.55) ADORA1ADORA2AADORA2BGRM5KDM4E
SCHEMBL10270112 0.83 GRM5 (0.55) ADORA1ADORA2AADORA2BGRM5KDM4E
SCHEMBL24577294 0.81 ADORA1 (0.51) ADORA1ADORA2AADORA2BGRM5
SCHEMBL10216710 0.80 ADORA1 (0.53) ADORA1ADORA2AADORA2BGRM5TDP1
SCHEMBL17371066 0.78 ADORA1 (0.72) ADORA1ADORA2AADORA2BKDM4EHPGD

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 2414/4885ADORA2B 2121/4885

“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.