SCHEMBL6792822

SCHEMBL6792822

COc1cc2c(Nc3cc(NC(=O)c4cccc(N(C)C)c4)ccc3C)ncnc2c(OC)c1OC

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 17/20 0.78
▸ EGFR P00533 4/20 0.67
▸ BRAF P15056 4/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ RAF1 P04049 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ MAPK11 Q15759 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL6789082 0.78 MAPK14 (0.77) MAPK14EGFRBRAFKDM4EALDH1A1
SCHEMBL6271024 0.75 MAPK14 (0.60) MAPK14EGFRBRAFKDM4EALDH1A1
SCHEMBL6782336 0.75 MAPK14 (1.00) MAPK14BRAFKDM4EALDH1A1RAF1
SCHEMBL6781511 0.75 MAPK14 (1.00) MAPK14BRAFKDM4EALDH1A1RAF1
Hydrochloric Acid SCHEMBL6782490 0.74 MAPK14 (0.61) MAPK14EGFR
SCHEMBL4967975 0.73 KDR (0.81) MAPK14EGFRBRAF
SCHEMBL6477643 0.73 MAPK14 (0.85) MAPK14BRAFKDM4EALDH1A1RAF1
SCHEMBL6477379 0.73 MAPK14 (0.85) MAPK14EGFRBRAFKDM4EALDH1A1
SCHEMBL6787061 0.72 PDE5A (0.57) —
SCHEMBL6782088 0.72 MAPK14 (1.00) MAPK14BRAFKDM4EALDH1A1RAF1

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
CN-1158266-C Chemical compounds — 2004-07-21 — — CN disclosed
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

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 MAPK14 3167/4885EGFR 1141/4885BRAF 2712/4885

“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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