SCHEMBL10000976

SCHEMBL10000976

[C-]#[N+]c1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1cccc(-c2cccc(-c3c(C#N)c(-c4ccccc4)nc4c3ccc3c(-c5ccccc5)cc(-c5ccccc5)nc34)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.39
ADORA2A P29274 8/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
SQOR Q9Y6N5 4/20 0.37
GRM5 P41594 1/20 0.36
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL10000985 0.99 ADORA1 (0.39) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL10001023 0.95 ADORA1 (0.37) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL10000974 0.93 ADORA1 (0.39) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL10030700 0.91 ADORA1 (0.46) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL10001001 0.90 ADORA1 (0.39) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL346858 0.89 ADORA1 (0.47) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL10000991 0.89 ADORA1 (0.38) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL10000977 0.89 SQOR (0.39) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL10000983 0.86 HPGD (0.38) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL10000988 0.86 ADORA1 (0.37) 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 2 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

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 ADORA1 4262/4885ADORA2A 3755/4885L3MBTL1 4566/4885

“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.