SCHEMBL12409727

SCHEMBL12409727

CCc1ccc(-c2c(-c3ccccn3)oc3ncnc(OC[C@H](C)OCCC(=O)O)c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.37
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
CHEK1 O14757 1/20 0.36
EGFR P00533 4/20 0.35
AURKB Q96GD4 1/20 0.34
MERTK Q12866 1/20 0.34
KDR P35968 2/20 0.33
JAK2 O60674 1/20 0.33
LCK P06239 1/20 0.33
SRC P12931 1/20 0.33
ZAP70 P43403 1/20 0.33
JAK3 P52333 1/20 0.33
TNK2 Q07912 1/20 0.33
TEK Q02763 1/20 0.33

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
SCHEMBL4524848 0.91 AURKA (0.45) AURKACHEK1EGFRAURKBMERTK
SCHEMBL6750806 0.91 AURKA (0.45) AURKACHEK1EGFRAURKBMERTK
SCHEMBL6750799 0.91 AURKA (0.45) AURKACHEK1EGFRAURKBMERTK
SCHEMBL12409729 0.90 KDM4E (0.44) AURKAPPARGCHEK1EGFRKDR
SCHEMBL12409716 0.90 AURKA (0.35) AURKACHEK1EGFRAURKBMERTK
SCHEMBL13984229 0.86 PPARG (0.39) AURKAPPARGPPARDPPARACHEK1
SCHEMBL4527789 0.86 AURKA (0.37) AURKACHEK1EGFRAURKBMERTK
SCHEMBL12409724 0.85 CHEK1 (0.37) AURKACHEK1EGFRAURKBMERTK
SCHEMBL12409726 0.84 PPARG (0.39) AURKAPPARGPPARDPPARACHEK1
SCHEMBL12409728 0.84 AURKA (0.40) AURKACHEK1EGFRAURKBMERTK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US 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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP AURKA 2987/4885PPARG 249/4885PPARD 149/4885

“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.