SCHEMBL10000978

SCHEMBL10000978

c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5cccc6c(-c7cccc8c(-c9nc(-c%10ccccc%10)nc%10c9ccc9c(-c%11ccccc%11)cc(-c%11ccccc%11)nc9%10)cccc78)cccc56)nc(-c5ccccc5)nc4c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 4/20 0.40
NTSR1 P30989 1/20 0.40
ACACA Q13085 3/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
GLA P06280 1/20 0.38
PLAUR Q03405 1/20 0.38
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TOP1 P11387 2/20 0.37
ACHE P22303 1/20 0.36
RARA P10276 1/20 0.35
ATM Q13315 2/20 0.35
TP53 P04637 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
SCHEMBL29662030 0.95 ALDH1A1 (0.43) ADORA2AADORA1MEN1KMT2AALDH1A1
SCHEMBL23302 0.95 ALDH1A1 (0.43) ADORA2AADORA1MEN1KMT2AALDH1A1
SCHEMBL22101156 0.89 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL347336 0.89 ADORA1 (0.42) ADORA2AADORA1MEN1KMT2AALDH1A1
SCHEMBL10000984 0.89 MEN1 (0.43) ADORA2AADORA1MEN1KMT2AALDH1A1
SCHEMBL595855 0.88 ADORA2A (0.45) ADORA2AADORA1MEN1KMT2AALDH1A1
SCHEMBL346750 0.87 ADORA1 (0.41) ADORA2AADORA1MEN1KMT2AALDH1A1
SCHEMBL10001008 0.87 MEN1 (0.42) ADORA2AADORA1MEN1KMT2AALDH1A1
SCHEMBL10000975 0.86 MEN1 (0.45) ADORA2AADORA1MEN1KMT2AALDH1A1
SCHEMBL10000997 0.85 MEN1 (0.40) ADORA2AADORA1MEN1KMT2AALDH1A1

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 6 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-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
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 4262/4885MEN1 243/4885

“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.