SCHEMBL3700337

SCHEMBL3700337

[NH]c1ccc(OCc2cccc(F)c2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.54
ERBB2 P04626 8/20 0.54
MRGPRX4 Q96LA9 4/20 0.50
ERBB3 P21860 1/20 0.49
ERBB4 Q15303 1/20 0.49
GAK O14976 1/20 0.48
MAOB P27338 1/20 0.47

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
SCHEMBL22874527 0.84 EGFR (0.55) EGFRERBB2MRGPRX4ERBB3ERBB4
SCHEMBL25648997 0.84 EGFR (0.55) EGFRERBB2MRGPRX4ERBB3ERBB4
SCHEMBL156718 0.82 MAOB (0.61) EGFRERBB2MRGPRX4ERBB3ERBB4
SCHEMBL5312817 0.82 EGFR (0.54) EGFRERBB2MRGPRX4ERBB3ERBB4
SCHEMBL29514868 0.82 MAOB (0.61) EGFRERBB2MRGPRX4ERBB3ERBB4
SCHEMBL24388658 0.82 CYP1A2 (0.61) EGFRERBB2GAKMAOB
SCHEMBL11910290 0.82 MRGPRX4 (0.64) EGFRERBB2MRGPRX4ERBB3ERBB4
SCHEMBL18805044 0.82 MRGPRX4 (0.64) EGFRERBB2MRGPRX4ERBB3ERBB4
SCHEMBL29388015 0.82 MAOB (0.61) EGFRERBB2MRGPRX4ERBB3ERBB4
SCHEMBL29434222 0.81 MEN1 (0.60) EGFRERBB2MRGPRX4MAOB

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-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (3 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 EGFR 4/4885ERBB2 1/4885MRGPRX4 1362/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885MRGPRX4 1072/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 EGFR 2/4885ERBB2 1/4885MRGPRX4 952/4885

“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.