SCHEMBL10000983

SCHEMBL10000983

[C-]#[N+]c1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1nnc(-c2c(C#N)c(-c3ccccc3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccccc4)nc23)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
PPARG P37231 2/20 0.38
NCOA2 Q15596 2/20 0.38
NCOA1 Q15788 2/20 0.38
NCOA3 Q9Y6Q9 2/20 0.38
ADORA1 P30542 6/20 0.37
ADORA2A P29274 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
SQOR Q9Y6N5 5/20 0.36
GRM5 P41594 1/20 0.35
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 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
SCHEMBL10030703 0.91 ADORA1 (0.44) HPGDCYP3A4CYP2C9CYP2C19PPARG
SCHEMBL10000985 0.87 ADORA1 (0.39) HPGDCYP3A4CYP2C9CYP2C19PPARG
SCHEMBL10000974 0.87 ADORA1 (0.39) HPGDCYP3A4CYP2C9CYP2C19PPARG
SCHEMBL10000976 0.86 ADORA1 (0.39) HPGDCYP3A4CYP2C9CYP2C19PPARG
SCHEMBL10001001 0.86 ADORA1 (0.39) HPGDCYP3A4CYP2C9CYP2C19PPARG
SCHEMBL10000991 0.85 ADORA1 (0.38) HPGDCYP3A4CYP2C9CYP2C19PPARG
SCHEMBL10000977 0.85 SQOR (0.39) HPGDCYP3A4CYP2C9CYP2C19PPARG
SCHEMBL10001007 0.85 ATR (0.31) KMT2AMEN1
SCHEMBL10000988 0.85 ADORA1 (0.37) HPGDCYP3A4CYP2C9CYP2C19PPARG
SCHEMBL10001023 0.84 ADORA1 (0.37) HPGDCYP3A4CYP2C9CYP2C19PPARG

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 HPGD 298/4885CYP3A4 316/4885CYP2C9 86/4885

“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.