SCHEMBL398074

SCHEMBL398074

N#Cc1c(-c2ccccc2-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)c2C#N)cc(-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.57
ADORA2A P29274 10/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 1/20 0.54
HPGD P15428 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
SQOR Q9Y6N5 3/20 0.51
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 1/20 0.50
PIM1 P11309 1/20 0.50
PPARG P37231 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL395111 0.90 ADORA1 (0.66) ADORA1ADORA2AL3MBTL1MAPK1HPGD
SCHEMBL394365 0.87 ADORA1 (0.49) ADORA1ADORA2AL3MBTL1MAPK1HPGD
SCHEMBL397164 0.83 ADORA1 (0.57) ADORA1ADORA2AL3MBTL1MAPK1HPGD
SCHEMBL17367840 0.83 ADORA1 (0.72) ADORA1ADORA2AL3MBTL1MAPK1HPGD
SCHEMBL397174 0.83 ADORA1 (0.72) ADORA1ADORA2AL3MBTL1MAPK1HPGD
SCHEMBL19383287 0.83 L3MBTL1 (0.66) ADORA1ADORA2AL3MBTL1MAPK1HPGD
SCHEMBL17371066 0.83 ADORA1 (0.72) ADORA1ADORA2AL3MBTL1MAPK1HPGD
SCHEMBL19383275 0.81 ADORA1 (0.49) ADORA1ADORA2AL3MBTL1MAPK1HPGD
SCHEMBL398851 0.81 ADORA1 (0.65) ADORA1ADORA2AL3MBTL1MAPK1HPGD
SCHEMBL19313662 0.81 ADORA1 (0.55) ADORA1ADORA2AL3MBTL1MAPK1HPGD

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 6 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-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
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 2414/4885L3MBTL1 1564/4885

“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.