SCHEMBL6792933

SCHEMBL6792933

COc1cc2c(Oc3c(F)c(F)c(F)c(F)c3F)ncnc2cc1O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.52
TRPA1 O75762 1/20 0.52
KDR P35968 10/20 0.50
RET P07949 5/20 0.50
KIF5B P33176 5/20 0.50
EGFR P00533 5/20 0.48
MET P08581 1/20 0.43
PDGFRA P16234 1/20 0.43
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL10296332 0.82 KDR (0.52) LCKTRPA1KDRRETKIF5B
SCHEMBL16760514 0.80 TRPA1 (0.60) LCKTRPA1KDRRETKIF5B
SCHEMBL29902465 0.79 KDR (0.63) LCKKDRRETEGFRMET
SCHEMBL295678 0.79 KDR (0.63) LCKKDRRETEGFRMET
SCHEMBL4419758 0.79 TRPA1 (0.62) LCKTRPA1KDRRETKIF5B
SCHEMBL14771448 0.79 TRPA1 (0.62) LCKTRPA1KDRRETKIF5B
SCHEMBL4375838 0.79 TRPA1 (0.62) LCKTRPA1KDRRETKIF5B
SCHEMBL4023047 0.79 TRPA1 (0.62) LCKTRPA1KDRRETKIF5B
SCHEMBL30000384 0.79 TRPA1 (0.62) LCKTRPA1KDRRETKIF5B
SCHEMBL4025375 0.78 KDR (0.67) LCKKDRRETKIF5BEGFR

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-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
WO-2002087587-A2 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2002-11-07 WO 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 LCK 3715/4885TRPA1 3092/4885KDR 1414/4885

“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.