SCHEMBL10001005

SCHEMBL10001005

c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5nnc(-c6nc(-c7ccccc7)nc7c6ccc6c(-c8ccccc8)cc(-c8ccccc8)nc67)o5)nc(-c5ccccc5)nc4c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 8/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
NTSR1 P30989 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 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
SCHEMBL10030706 0.86 ADORA2A (0.40) ADORA2AADORA1MEN1KMT2AHPGD
SCHEMBL595855 0.86 ADORA2A (0.45) ADORA2AADORA1MEN1KMT2AHPGD
SCHEMBL10001007 0.85 ATR (0.31) ATRMEN1KMT2A
SCHEMBL10000975 0.83 MEN1 (0.45) ADORA2AADORA1MEN1KMT2AHPGD
SCHEMBL347336 0.83 ADORA1 (0.42) ADORA2AADORA1MEN1KMT2AHPGD
SCHEMBL10000984 0.83 MEN1 (0.43) ADORA2AADORA1MEN1KMT2AHPGD
SCHEMBL346750 0.82 ADORA1 (0.41) ADORA2AADORA1MEN1KMT2AHPGD
SCHEMBL10001008 0.82 MEN1 (0.42) ADORA2AADORA1MEN1KMT2AHPGD
SCHEMBL10000978 0.81 ADORA2A (0.41) ADORA2AADORA1MEN1KMT2AHPGD
SCHEMBL15582317 0.81 KMT2A (0.38) ADORA2AADORA1MEN1KMT2AHPGD

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 ATR 2328/4885ADORA2A 3755/4885ADORA1 4262/4885

“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.