SCHEMBL10000992

SCHEMBL10000992

[C-]#[N+]c1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1cccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3ccc3c(-c5ccccc5)cc(-c5ccccc5)nc34)n2)n1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
NTSR1 P30989 1/20 0.30
TOP1 P11387 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL10000979 0.88 MEN1 (0.32) MEN1KMT2AADORA2AADORA1ALDH1A1
SCHEMBL10000993 0.87 TOP1 (0.32) MEN1KMT2AADORA2AADORA1TOP1
SCHEMBL10001009 0.86 MEN1 (0.32) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL10001008 0.84 MEN1 (0.42) MEN1KMT2AADORA2AADORA1ALDH1A1
SCHEMBL10001006 0.84 ADORA2A (0.32) MEN1KMT2AADORA2AADORA1
SCHEMBL10000991 0.84 ADORA1 (0.38) MEN1KMT2AADORA2AADORA1ALDH1A1
SCHEMBL10000984 0.83 MEN1 (0.43) MEN1KMT2AADORA2AADORA1ALDH1A1
SCHEMBL10001007 0.83 ATR (0.31) MEN1KMT2A
SCHEMBL10001000 0.83 ADK (0.32) MEN1KMT2AALDH1A1
SCHEMBL10001001 0.83 ADORA1 (0.39) MEN1KMT2AADORA2AADORA1ALDH1A1

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 MEN1 243/4885KMT2A 838/4885ADORA2A 3755/4885

“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.