Sugi Predict

Sugi Predict / Compounds / SCHEMBL4887071

SCHEMBL4887071

SCHEMBL4887071

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(C(=O)N2CCOCC2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.78
▸ ERBB2 P04626 11/20 0.73
▸ RIPK2 O43353 2/20 0.72
▸ RET P07949 2/20 0.72
▸ EPHB2 P29323 2/20 0.72
▸ EPHB4 P54760 2/20 0.72
▸ EPHA4 P54764 2/20 0.72
▸ RIPK3 Q9Y572 2/20 0.72
▸ GAK O14976 1/20 0.72
▸ LYN P07948 1/20 0.72
▸ EPHA1 P21709 1/20 0.72
▸ ERBB3 P21860 1/20 0.72
▸ EPHA2 P29317 1/20 0.72
▸ EPHA5 P54756 1/20 0.72
▸ ADK P55263 1/20 0.72
▸ PTK6 Q13882 1/20 0.72
▸ MET P08581 1/20 0.65
▸ TEC P42680 1/20 0.65
▸ BTK Q06187 1/20 0.65
▸ KCNH2 Q12809 1/20 0.65

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
SCHEMBL4884406 0.93 EGFR (0.82) EGFRERBB2RIPK2RETEPHB2
SCHEMBL5422908 0.91 EGFR (0.85) EGFRERBB2RIPK2RETEPHB2
SCHEMBL5210047 0.91 EGFR (0.85) EGFRERBB2RIPK2RETEPHB2
SCHEMBL3129439 0.91 EGFR (0.80) EGFRERBB2RIPK2RETEPHB2
SCHEMBL4884999 0.91 EGFR (0.79) EGFRERBB2RIPK2RETEPHB2
SCHEMBL3126409 0.90 EGFR (0.84) EGFRERBB2RIPK2RETEPHB2
SCHEMBL3961829 0.90 EGFR (0.84) EGFRERBB2RIPK2RETEPHB2
SCHEMBL12713007 0.90 EGFR (0.71) EGFRERBB2RIPK2RETEPHB2
SCHEMBL12549007 0.90 EGFR (0.71) EGFRERBB2RIPK2RETEPHB2
SCHEMBL12549468 0.90 EGFR (0.71) EGFRERBB2RIPK2RETEPHB2

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-20120329795-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB 2012-12-27 — — US claimed
US-20080096881-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2008-04-24 — — US claimed
EP-1667992-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-01-24 — — EP claimed
US-20120329795-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB 2012-12-27 — — US disclosed
US-8318752-B2 antiproliferative agent in the prevention or treatment of tumors which are sensitive to inhibition of EGF and erbB receptor tyrosine kinases ASTRAZENECA AB (SE) 2012-11-27 — — US disclosed
US-20080096881-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2008-04-24 — — US disclosed
EP-1667992-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-01-24 — — EP 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-20120329795-A1 QUINAZOLINE DERIVATIVES EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885RIPK2 1931/4885
US-20080096881-A1 Quinazoline Derivatives EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885RIPK2 1688/4885

“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.