Sugi Predict

Sugi Predict / Compounds / SCHEMBL11304

SCHEMBL11304

SCHEMBL11304

COc1cc2ncnc(Nc3ccc(F)c(F)c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.86
▸ SRC P12931 6/20 0.86
▸ KDR P35968 6/20 0.86
▸ FLT4 P35916 2/20 0.86
▸ RET P07949 2/20 0.86
▸ BRAF P15056 2/20 0.86
▸ EPHB4 P54760 2/20 0.86
▸ CIT O14578 1/20 0.86
▸ GAK O14976 1/20 0.86
▸ EPHB6 O15197 1/20 0.86
▸ ABCC4 O15439 1/20 0.86
▸ DAPK3 O43293 1/20 0.86
▸ RIPK2 O43353 1/20 0.86
▸ NR1I2 O75469 1/20 0.86
▸ RPS6KA4 O75676 1/20 0.86
▸ STK17B O94768 1/20 0.86
▸ STK10 O94804 1/20 0.86
▸ PRKD3 O94806 1/20 0.86
▸ ABCB11 O95342 1/20 0.86
▸ MAP4K4 O95819 1/20 0.86

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
SCHEMBL30416288 1.00 EGFR (0.86) EGFRSRCKDRFLT4RET
SCHEMBL22383954 0.95 EGFR (0.86) EGFRSRCKDRFLT4RET
SCHEMBL799681 0.93 EGFR (0.83) EGFRSRCKDRFLT4RET
Gefitinib SCHEMBL29351046 0.92 EGFR (1.00) EGFRSRCKDRFLT4RET
SCHEMBL22667930 0.92 EGFR (0.82) EGFRSRCKDRFLT4RET
Gefitinib SCHEMBL7866 0.92 EGFR (1.00) EGFRSRCKDRFLT4RET
SCHEMBL1734701 0.92 EGFR (1.00) EGFRSRCKDRFLT4RET
Gefitinib SCHEMBL29351336 0.92 EGFR (1.00) EGFRSRCKDRFLT4RET
Gefitinib SCHEMBL465143 0.92 EGFR (1.00) EGFRSRCKDRFLT4RET
SCHEMBL27957018 0.92 EGFR (0.88) EGFRSRCKDRFLT4RET

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111298127-A Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same 黄泳华 2020-06-19 — — CN claimed
EP-0823900-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-12-27 — — EP claimed
US-5770599-A RECEPTOR TYROSINE KINASE INHIBITORS including 4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(2-morpholinoethoxy)quinazoline (gefitinib) ZENECA LIMITED (GB) 1998-06-23 — — US claimed
CN-116134022-A ATR inhibitors and uses thereof 上海德琪医药科技有限公司 2023-05-16 — — CN disclosed
CN-111298127-A Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same 黄泳华 2020-06-19 — — CN disclosed
US-9938302-B2 Chimeric compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-04-10 — — US disclosed
US-9938302-B2 Chimeric compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-04-10 — — US disclosed
US-20170334932-A1 CHIMERIC COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2017-11-23 — — US disclosed
US-20170334932-A1 CHIMERIC COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2017-11-23 — — US disclosed
US-20160303127-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS GENENTECH INC (US) 2016-10-20 — — US disclosed
US-20150086545-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS GENENTECH, INC. (US) 2015-03-26 — — US disclosed
WO-2007013950-A2 COMBINATION THERAPY OF HER EXPRESSING TUMORS GENENTECH, INC. (US) 2007-02-01 — — WO disclosed
US-20070020261-A1 Combination therapy of her expressing tumors GENENTECH, INC. 2007-01-25 — — US disclosed
WO-2006089015-A2 METHODS OF USING DEATH RECEPTOR AGONISTS AND EGFR INHIBITORS GENENTECH, INC. (US) 2006-08-24 — — WO disclosed
US-20060188498-A1 Methods of using death receptor agonists and EGFR inhibitors GENENTECH, INC. 2006-08-24 — — US disclosed
WO-2005048928-A2 METHODS FOR TREATING VIRAL INFECTION GEORGE MASON INTELLECTUAL PROPERTY (US) 2005-06-02 — — WO disclosed
EP-0823900-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-12-27 — — EP disclosed
US-5770599-A RECEPTOR TYROSINE KINASE INHIBITORS including 4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(2-morpholinoethoxy)quinazoline (gefitinib) ZENECA LIMITED (GB) 1998-06-23 — — US disclosed
EP-0823900-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-02-18 — — EP disclosed
WO-1996033980-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-10-31 — — 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 (5 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-20150086545-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS ERBB2, EGFR, ERBB3 EGFR 2/4885SRC 85/4885KDR 34/4885
US-20060188498-A1 Methods of using death receptor agonists and EGFR inhibitors EGFR, ERBB4, TNFRSF9 EGFR 1/4885SRC 812/4885KDR 50/4885
US-20070020261-A1 Combination therapy of her expressing tumors ERBB2, EGFR, ERBB3 EGFR 2/4885SRC 85/4885KDR 34/4885
US-20160303127-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS MET, EGFR, ERBB2 EGFR 2/4885SRC 24/4885KDR 33/4885
US-20170334932-A1 CHIMERIC COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF IKZF3, IKZF1, CKS1B EGFR 763/4885SRC 468/4885KDR 3179/4885

“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.