SCHEMBL10030705

SCHEMBL10030705

N#Cc1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1csc(-c2nc(-c3ccccc3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccccc4)nc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.39
ADORA1 P30542 5/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SQOR Q9Y6N5 3/20 0.35
POLB P06746 2/20 0.35
GRM5 P41594 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL10030697 0.90 ADORA1 (0.41) ADORA2AADORA1KMT2AMEN1MAPK1
SCHEMBL10030708 0.87 ADORA1 (0.40) ADORA2AADORA1HSD17B10KMT2AMEN1
SCHEMBL10000999 0.86 ADORA1 (0.43) ADORA2AADORA1HSD17B10KMT2AMEN1
SCHEMBL10030713 0.84 ADORA2A (0.42) ADORA2AADORA1HSD17B10KMT2AMEN1
SCHEMBL10000994 0.84 ADORA2A (0.39) ADORA2AADORA1KMT2AMEN1MAPK1
SCHEMBL10000990 0.83 ADORA1 (0.43) ADORA2AADORA1HSD17B10KMT2AMEN1
SCHEMBL10000987 0.83 ADORA2A (0.31) ADORA2AADORA1
SCHEMBL4484619 0.82 ADORA1 (0.49) ADORA2AADORA1KMT2AMEN1MAPK1
SCHEMBL10030694 0.82 ADORA1 (0.42) ADORA2AADORA1HSD17B10KMT2AMEN1
SCHEMBL10030701 0.82 ADORA2A (0.41) ADORA2AADORA1HSD17B10KMT2AMEN1

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-8475686-B2 Bridged pyridoquinazoline or phenanthroline compounds and organic semiconducting material comprising that compound NOVALED AG (DE) 2013-07-02 US disclosed
US-20120012794-A1 Bridged Pyridoquinazoline or Phenanthroline Compounds and Organic Semiconducting Material Comprising That Compound NOVALED AG (DE) 2012-01-19 US disclosed
WO-2010063461-A1 BRIDGED PYRIDOQUINAZOLINE OR PHENANTHROLINE COMPOUNDS AND ORGANIC SEMICONDUTING MATERIAL COMPRISING THAT COMPOUND NOVALED AG (DE) 2010-06-10 WO disclosed
EP-2194055-A1 Bridged pyridoquinazoline or phenanthroline compounds and organic semiconducting material comprising that compound Novaled AG (DE) 2010-06-09 EP 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-20120012794-A1 Bridged Pyridoquinazoline or Phenanthroline Compounds and Organic Semiconducting Material Comprising That Compound PNPO, SDHB, PAH ADORA2A 3755/4885ADORA1 4262/4885HSD17B10 3516/4885

“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.