SCHEMBL30513751

SCHEMBL30513751

[2H]C([2H])([2H])Oc1ccc2ncncc2c1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.78
PDGFRB P09619 3/20 0.48
PDGFRA P16234 3/20 0.48
FGFR4 P22455 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
ALDH1A1 P00352 1/20 0.44
F2 P00734 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
HPGDS O60760 1/20 0.39
TDO2 P48775 1/20 0.37
NCF1 P14598 1/20 0.37
AR P10275 1/20 0.36

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
SCHEMBL3372138 0.88 EGFR (1.00) EGFRPDGFRBPDGFRAFGFR4PIK3CD
SCHEMBL31728944 0.87 EGFR (0.78) EGFRPDGFRBPDGFRAHPGDS
Hydrochloric Acid SCHEMBL28032872 0.86 EGFR (0.96) EGFRPDGFRBPDGFRAFGFR4PIK3CD
Biphenyl SCHEMBL28023494 0.78 EGFR (0.79) EGFRPDGFRBPDGFRAFGFR4PIK3CD
SCHEMBL28243443 0.78 EGFR (0.70) EGFRFGFR4PIK3CDPIK3CAALDH1A1
SCHEMBL28158032 0.75 EGFR (0.76) EGFRPDGFRBPDGFRAFGFR4PIK3CD
SCHEMBL27399910 0.75 EGFR (0.65) EGFRPDGFRBPDGFRAFGFR4PIK3CD
SCHEMBL535665 0.74 EGFR (0.64) EGFRFGFR4PIK3CDPIK3CAALDH1A1
SCHEMBL668493 0.74 EGFR (1.00) EGFRPDGFRBPDGFRAALDH1A1HPGDS
SCHEMBL29517021 0.74 EGFR (1.00) EGFRPDGFRBPDGFRAALDH1A1HPGDS

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-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2023-09-21 US disclosed
US-11723908-B2 Quinazoline derivatives as antitumor agents SUZHOU ZANRONG PHARMA LIMITED (CN) 2023-08-15 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 (2 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-11723908-B2 Quinazoline derivatives as antitumor agents ABL1, TP53, JAK1 EGFR 117/4885PDGFRB 334/4885PDGFRA 250/4885
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ABL1, TP53, JAK1 EGFR 117/4885PDGFRB 334/4885PDGFRA 250/4885

“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.