SCHEMBL2879037

SCHEMBL2879037

[O-][n+]1ccc2cncnc2c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.48
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
TDO2 P48775 1/20 0.31
IMPDH2 P12268 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
SCHEMBL31187649 0.85 EGFR (0.48) EGFRPIK3CDPIK3CATDO2
SCHEMBL2078225 0.71 ALDH1A1 (0.50)
SCHEMBL2986767 0.68 CYP19A1 (0.33) IMPDH2
SCHEMBL2989390 0.68 PRKCZ (0.35) IMPDH2
SCHEMBL16014058 0.68 ALDH1A1 (0.41) EGFR
Quinazoline SCHEMBL29356169 0.66 EGFR (1.00) EGFRPIK3CDPIK3CATDO2IMPDH2
Quinazoline SCHEMBL5920 0.66 EGFR (1.00) EGFRPIK3CDPIK3CATDO2IMPDH2
Quinazoline SCHEMBL29490398 0.66 EGFR (1.00) EGFRPIK3CDPIK3CATDO2IMPDH2
Quinazoline SCHEMBL22833783 0.66 EGFR (1.00) EGFRPIK3CDPIK3CATDO2IMPDH2
Quinazoline SCHEMBL3533306 0.64 EGFR (0.95) EGFRPIK3CDPIK3CATDO2IMPDH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334294-B2 4,8-diphenyl-polyazanaphthalene derivatives ALMIRALL, S.A. (ES) 2012-12-18 US disclosed
EP-2146988-B1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL SA (ES) 2012-08-15 EP disclosed
US-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-27 US disclosed
EP-2146988-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES Almirall, S.A. (ES) 2010-01-27 EP disclosed
WO-2008131922-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2008-11-06 WO 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-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES MAPK8, MAPK4, MAP3K8 EGFR 1264/4885PIK3CD 180/4885PIK3CA 247/4885

“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.