SCHEMBL397164

SCHEMBL397164

N#Cc1c(-c2ccccc2)cc(-c2ccccc2-c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)n2)nc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.57
ADORA2A P29274 9/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPK1 P28482 1/20 0.57
SQOR Q9Y6N5 3/20 0.54
KDM4E B2RXH2 4/20 0.50
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HSD17B10 Q99714 3/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.49
PIM1 P11309 1/20 0.49

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
SCHEMBL398221 0.92 ADORA1 (0.50) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL395111 0.90 ADORA1 (0.66) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL10216653 0.87 ADORA1 (0.46) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL398074 0.83 ADORA1 (0.57) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL19383287 0.83 L3MBTL1 (0.66) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL17371066 0.83 ADORA1 (0.72) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL397174 0.83 ADORA1 (0.72) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL17367840 0.83 ADORA1 (0.72) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL20537142 0.81 MAPK1 (0.59) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL29444600 0.81 ADORA1 (0.54) ADORA1ADORA2AL3MBTL1MAPK1SQOR

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 2414/4885L3MBTL1 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.