SCHEMBL6787016

SCHEMBL6787016

COc1cc2ncnc(Nc3ccc(Cl)c(N)c3)c2cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.74
RET P07949 4/20 0.74
KIF5B P33176 2/20 0.74
FLT1 P17948 1/20 0.71
EGFR P00533 13/20 0.71
EPHB4 P54760 4/20 0.71
ERBB2 P04626 3/20 0.71
CLK1 P49759 2/20 0.71
FBP1 P09467 2/20 0.71
AURKA O14965 1/20 0.71
INSR P06213 1/20 0.71
PDGFRB P09619 1/20 0.71
FLT4 P35916 1/20 0.71
TEK Q02763 1/20 0.71
AURKB Q96GD4 1/20 0.71
ABCG2 Q9UNQ0 1/20 0.70
LCK P06239 4/20 0.69
KDM4E B2RXH2 2/20 0.67
MAPT P10636 2/20 0.67
MAPK1 P28482 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
SCHEMBL2100447 0.89 KDR (0.80) KDRRETKIF5BFLT1EGFR
SCHEMBL6783334 0.86 KDR (0.74) KDRRETKIF5BFLT1EGFR
SCHEMBL22590721 0.86 EGFR (0.80) KDRRETKIF5BFLT1EGFR
SCHEMBL7870579 0.85 KDR (1.00) KDRRETKIF5BFLT1EGFR
SCHEMBL14095971 0.85 EGFR (0.80) KDRRETKIF5BFLT1EGFR
SCHEMBL6792594 0.85 EGFR (0.74) KDRRETKIF5BFLT1EGFR
SCHEMBL3533221 0.84 EGFR (0.80) KDRRETKIF5BFLT1EGFR
Hydrochloric Acid SCHEMBL7867185 0.84 KDR (0.98) KDRRETKIF5BFLT1EGFR
Hydrochloric Acid SCHEMBL8871198 0.83 EGFR (0.80) KDRRETKIF5BFLT1EGFR
SCHEMBL5477771 0.83 KDR (1.00) KDRRETKIF5BFLT1EGFR

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 6 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
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.