SCHEMBL6786328

SCHEMBL6786328

COc1cc2ncnc(Nc3cccc(NC(C)=O)c3)c2cc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.77
▸ SRC P12931 4/20 0.77
▸ MAPK14 Q16539 4/20 0.77
▸ RAF1 P04049 2/20 0.71
▸ BRAF P15056 1/20 0.71
▸ KDR P35968 9/20 0.71
▸ RET P07949 5/20 0.71
▸ EPHB2 P29323 2/20 0.71
▸ FGFR1 P11362 1/20 0.71
▸ FLT1 P17948 1/20 0.71
▸ CDK2 P24941 1/20 0.71
▸ PIK3R1 P27986 1/20 0.71
▸ KIF5B P33176 1/20 0.71
▸ TTBK1 Q5TCY1 1/20 0.71
▸ NOD1 Q9Y239 1/20 0.69
▸ ABCG2 Q9UNQ0 2/20 0.69
▸ LRRK2 Q5S007 1/20 0.69
▸ KDM4E B2RXH2 2/20 0.67
▸ ABL1 P00519 2/20 0.67
▸ CYP1A2 P05177 2/20 0.67

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
SCHEMBL5485308 0.88 EGFR (0.77) EGFRSRCMAPK14RAF1KDR
Hydrochloric Acid SCHEMBL5471735 0.87 EGFR (0.75) EGFRSRCMAPK14RAF1KDR
SCHEMBL6785711 0.87 MAPK14 (1.00) EGFRSRCMAPK14KDR
SCHEMBL7507820 0.87 SRC (1.00) EGFRSRCMAPK14BRAFKDR
SCHEMBL27463430 0.85 MAPK14 (0.69) EGFRSRCMAPK14KDR
SCHEMBL5565237 0.84 EGFR (0.67) EGFRSRCMAPK14KDRRET
SCHEMBL3238919 0.84 EGFR (0.70) EGFRSRCMAPK14RAF1KDR
Hydrochloric Acid SCHEMBL6794010 0.83 MAPK14 (0.81) EGFRSRCMAPK14KDRRET
SCHEMBL15051944 0.83 BRAF (1.00) RAF1BRAF
SCHEMBL29435034 0.83 KDR (1.00) EGFRSRCMAPK14RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716847-B2 ANTIALLERGENS, ANTIINFLAMMATORY ASTRAZENECA AB (SE) 2004-04-06 — — US claimed
US-20030216417-A1 Substituted anilino-quinoline compounds and use thereof ASTRAZENECA AB 2003-11-20 — — US claimed
US-6593333-B1 Processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines. Tumour Necrosis Factor (hereinafter TNF), for example TNF alpha , and various ASTRAZENECA AB (SE) 2003-07-15 — — US claimed
EP-1117653-B1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-02-05 — — EP claimed
EP-1117653-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2001-07-25 — — EP claimed
WO-2000020402-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-13 — — WO claimed
US-6716847-B2 ANTIALLERGENS, ANTIINFLAMMATORY ASTRAZENECA AB (SE) 2004-04-06 — — US disclosed
US-20030216417-A1 Substituted anilino-quinoline compounds and use thereof ASTRAZENECA AB 2003-11-20 — — US disclosed
US-6593333-B1 Processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines. Tumour Necrosis Factor (hereinafter TNF), for example TNF alpha , and various ASTRAZENECA AB (SE) 2003-07-15 — — US disclosed
EP-1117653-B1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-02-05 — — EP disclosed
EP-1117653-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2001-07-25 — — EP disclosed
WO-2000020402-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-13 — — WO disclosed
US-5616582-A Use as anticancer agents; e.g. gefitinib ZENECA LIMITED (GB) 1997-04-01 — — US disclosed
EP-0566226-B1 Quinazoline derivatives ZENECA LTD (GB) 1995-11-08 — — EP disclosed
US-5457105-A anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) ZENECA LIMITED (GB) 1995-10-10 — — US disclosed
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 — — 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 (1 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-20030216417-A1 Substituted anilino-quinoline compounds and use thereof IL6, IL6ST, IL1A EGFR 1141/4885SRC 3538/4885MAPK14 3167/4885

“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.

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