SCHEMBL1706699

SCHEMBL1706699

COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.78
ALK Q9UM73 3/20 0.64
NUAK1 O60285 1/20 0.58
NUAK2 Q9H093 1/20 0.58

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
SCHEMBL1706941 0.89 EGFR (0.78) EGFRALKNUAK1NUAK2
SCHEMBL27871462 0.89 EGFR (0.61) EGFRALK
SCHEMBL1706808 0.88 EGFR (1.00) EGFRALKNUAK1NUAK2
SCHEMBL10128584 0.87 EGFR (0.87) EGFRALKNUAK1NUAK2
SCHEMBL29534133 0.86 EGFR (0.90) EGFRALKNUAK1NUAK2
SCHEMBL17201956 0.86 ALK (0.68) EGFRALK
SCHEMBL1706237 0.85 EGFR (1.00) EGFRALKNUAK1NUAK2
SCHEMBL2120917 0.84 EGFR (0.93) EGFRALKNUAK1NUAK2
SCHEMBL9893628 0.82 EGFR (1.00) EGFRALKNUAK1NUAK2
SCHEMBL1706933 0.82 EGFR (0.94) EGFRALKNUAK1NUAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders DANA-FARBER CANCER INSTITUTE, INC. 2019-02-07 US disclosed
US-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed
EP-2440559-B1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INST INC (US) 2018-01-10 EP disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
EP-2440559-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2012-04-18 EP disclosed
WO-2010129053-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-11-11 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 (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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB4 EGFR 1/4885ALK 32/4885NUAK1 2357/4885
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders EGFR, ERBB2, ERBB4 EGFR 1/4885ALK 32/4885NUAK1 2357/4885

“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.