Sugi Predict

Sugi Predict / Compounds / SCHEMBL1989952

SCHEMBL1989952

SCHEMBL1989952

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1O[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.67
▸ ERBB2 P04626 10/20 0.66
▸ GAK O14976 1/20 0.65
▸ RIPK2 O43353 1/20 0.65
▸ LYN P07948 1/20 0.65
▸ RET P07949 1/20 0.65
▸ EPHA1 P21709 1/20 0.65
▸ ERBB3 P21860 1/20 0.65
▸ EPHA2 P29317 1/20 0.65
▸ EPHB2 P29323 1/20 0.65
▸ EPHA5 P54756 1/20 0.65
▸ EPHB4 P54760 1/20 0.65
▸ EPHA4 P54764 1/20 0.65
▸ ADK P55263 1/20 0.65
▸ PTK6 Q13882 1/20 0.65
▸ RIPK3 Q9Y572 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
SCHEMBL1989506 1.00 EGFR (0.67) EGFRERBB2GAKRIPK2LYN
SCHEMBL12562850 0.94 EGFR (0.67) EGFRERBB2GAKRIPK2LYN
SCHEMBL12562859 0.94 EGFR (0.67) EGFRERBB2GAKRIPK2LYN
SCHEMBL1994368 0.94 EGFR (0.69) EGFRERBB2GAKRIPK2LYN
SCHEMBL1988753 0.94 EGFR (0.69) EGFRERBB2GAKRIPK2LYN
SCHEMBL6605775 0.94 EGFR (0.64) EGFRERBB2GAKRIPK2LYN
SCHEMBL3129383 0.94 EGFR (0.64) EGFRERBB2GAKRIPK2LYN
SCHEMBL1989092 0.93 EGFR (0.67) EGFRERBB2GAKRIPK2LYN
SCHEMBL1993802 0.93 EGFR (0.67) EGFRERBB2GAKRIPK2LYN
SCHEMBL15727008 0.92 EGFR (0.73) EGFRERBB2GAKRIPK2LYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735410-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2014-05-27 — — US disclosed
US-8735410-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2014-05-27 — — US disclosed
US-8735410-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2014-05-27 — — US disclosed
US-20140128612-A1 DEUTERATED OMEGA DIPHENYLUREA RELATED COMPOUNDS AND INTERMEDIATES SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2014-05-08 — — US disclosed
EP-1856095-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-08-24 — — EP disclosed
US-20110152297-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS Astra Zeneca AB Corporation 2011-06-23 — — US disclosed
US-20110152297-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS Astra Zeneca AB Corporation 2011-06-23 — — US disclosed
US-20110152297-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS Astra Zeneca AB Corporation 2011-06-23 — — 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-20110152297-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, EGFR EGFR 3/4885ERBB2 1/4885GAK 205/4885
US-20140128612-A1 DEUTERATED OMEGA DIPHENYLUREA RELATED COMPOUNDS AND INTERMEDIATES PNLIP, PDXK, DGKK EGFR 3102/4885ERBB2 2125/4885GAK 243/4885

“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.