SCHEMBL2825543

SCHEMBL2825543

c1cc2ccnc3c4cccc5ccnc(c(c1)c23)c54

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.45
CYP2A6 P11509 1/20 0.45
F12 P00748 1/20 0.45
NCF1 P14598 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
BACE1 P56817 1/20 0.45
TSHR P16473 4/20 0.42
CCR1 P32246 4/20 0.42
CCR8 P51685 4/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MMP2 P08253 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 2/20 0.42

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
SCHEMBL29475320 0.96 CYP1A2 (0.44) PLAUCYP2A6F12NCF1NOS3
SCHEMBL30022648 0.96 CYP1A2 (0.44) PLAUCYP2A6F12NCF1NOS3
SCHEMBL5471458 0.96 CYP1A2 (0.44) PLAUCYP2A6F12NCF1NOS3
SCHEMBL30421514 0.94 CYP1A2 (0.43) PLAUCYP2A6F12NCF1NOS3
SCHEMBL9999520 0.92 CYP1A2 (0.41) PLAUCYP2A6F12NCF1NOS3
SCHEMBL32665271 0.91 CYP1A2 (0.48) PLAUCYP2A6F12NCF1NOS3
SCHEMBL5478954 0.91 CYP1A2 (0.48) PLAUCYP2A6F12NCF1NOS3
SCHEMBL9999522 0.82 CYP1A2 (0.47) PLAUCYP2A6F12NCF1NOS3
SCHEMBL12746470 0.81 APP (0.33) PLAUCYP2A6F12NCF1NOS3
SCHEMBL21803649 0.78 PSMD14 (0.42) CYP2A6CCR1CCR8ALDH1A1CYP1A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101176217-B Azaperylenes as organic semiconductors CIBA SC HOLDING AG 2013-07-17 CN disclosed
EP-1880428-B1 AZAPERYLENES AS ORGANIC SEMICONDUCTORS BASF SE (DE) 2010-09-22 EP disclosed
US-7723521-B2 Azaperylenes as organic semiconductors CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-20090101890-A1 Azaperylenes as organic semiconductors CIBA SPECIALTY CHEMICALS CORP. 2009-04-23 US disclosed
CN-101176217-A Azaperylenes as organic semiconductors CIBA SC HOLDING AG (CH) 2008-05-07 CN disclosed
EP-1880428-A1 AZAPERYLENES AS ORGANIC SEMICONDUCTORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2008-01-23 EP disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
WO-2006120143-A1 AZAPERYLENES AS ORGANIC SEMICONDUCTORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-11-16 WO disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed
JP-2000231987-A ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY DEVICE USING IT FUJITSU LTD 2000-08-22 JP 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-20090101890-A1 Azaperylenes as organic semiconductors RPS7, RPS8, ORC3 PLAU 4859/4885CYP2A6 2066/4885F12 1322/4885

“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.