SCHEMBL6793966

SCHEMBL6793966

COc1cc2ncnc(Nc3cc(N)ccc3C)c2cc1OC

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.74
RET P07949 7/20 0.74
KIF5B P33176 3/20 0.74
EGFR P00533 10/20 0.62
SRC P12931 2/20 0.61
CLK1 P49759 1/20 0.61
ABCG2 Q9UNQ0 1/20 0.61
RIPK2 O43353 1/20 0.60
NOD1 Q9Y239 1/20 0.60
LCK P06239 3/20 0.60
MAPK14 Q16539 1/20 0.60
FLT1 P17948 1/20 0.59

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
SCHEMBL4970955 0.91 RET (0.68) KDRRETKIF5BEGFRRIPK2
SCHEMBL27782657 0.86 RET (0.72) KDRRETKIF5BEGFRABCG2
SCHEMBL18158909 0.85 RET (1.00) KDRRETKIF5BEGFRRIPK2
SCHEMBL15580162 0.84 KDR (0.65) KDRRETKIF5BEGFRSRC
SCHEMBL29693554 0.84 KDR (0.78) KDRRETKIF5BEGFRSRC
SCHEMBL2206623 0.84 KDR (0.78) KDRRETKIF5BEGFRSRC
SCHEMBL12200787 0.83 RET (0.74) KDRRETKIF5BEGFRABCG2
SCHEMBL3533221 0.83 EGFR (0.80) KDRRETKIF5BEGFRCLK1
SCHEMBL6783334 0.82 KDR (0.74) KDRRETKIF5BEGFRCLK1
SCHEMBL1507635 0.82 KDR (0.69) KDRRETKIF5BEGFRSRC

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
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
CN-1321151-A Chemical compounds ASTRAZENECA AB (SE) 2001-11-07 CN 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 KDR 1414/4885RET 3317/4885KIF5B 1008/4885

“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.