SCHEMBL5651730

SCHEMBL5651730

COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1O

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 7/20 0.81
AURKA O14965 4/20 0.77
MAPK14 Q16539 6/20 0.66
EGFR P00533 4/20 0.66
IRAK4 Q9NWZ3 1/20 0.62
KDR P35968 6/20 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
Hydrochloric Acid SCHEMBL2463942 0.99 AURKB (0.80) AURKBAURKAMAPK14EGFRIRAK4
SCHEMBL5649152 0.91 AURKA (0.69) AURKBAURKAMAPK14EGFRKDR
SCHEMBL5652035 0.90 AURKA (0.68) AURKBAURKAMAPK14EGFRKDR
SCHEMBL3531809 0.90 AURKB (1.00) AURKBAURKAMAPK14EGFRIRAK4
SCHEMBL5016550 0.90 KDR (0.74) AURKBAURKAMAPK14EGFRKDR
SCHEMBL3527282 0.87 AURKB (0.94) AURKBAURKAMAPK14EGFRIRAK4
SCHEMBL10152557 0.87 AURKA (0.69) AURKBAURKAMAPK14EGFRIRAK4
Hydrochloric Acid SCHEMBL5652341 0.86 AURKA (0.69) AURKBAURKAMAPK14EGFRIRAK4
Hydrochloric Acid SCHEMBL2063014 0.86 AURKA (0.69) AURKBAURKAMAPK14EGFRIRAK4
Hydrochloric Acid SCHEMBL3531894 0.86 AURKB (0.92) AURKBAURKAMAPK14EGFRIRAK4

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
US-8148531-B2 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2012-04-03 US disclosed
US-8148531-B2 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2012-04-03 US disclosed
EP-1877383-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2011-09-07 EP disclosed
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2009-05-21 US disclosed
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2009-05-21 US disclosed
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 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-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CDK1, AURKC, CSNK1G3 AURKB 19/4885AURKA 8/4885MAPK14 1127/4885

“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.