SCHEMBL12409649

SCHEMBL12409649

CCc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC(C)CCCCC(=O)O)c23)nc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.40
CHEK1 O14757 2/20 0.39
EGFR P00533 6/20 0.37
AURKB Q96GD4 1/20 0.37
MERTK Q12866 1/20 0.36

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
SCHEMBL2180323 1.00 AURKA (0.40) AURKACHEK1EGFRAURKBMERTK
SCHEMBL4531353 0.91 AURKA (0.45) AURKACHEK1EGFRAURKBMERTK
SCHEMBL12409630 0.91 AURKA (0.39) AURKACHEK1EGFRAURKBMERTK
SCHEMBL2180434 0.88 CHEK1 (0.50) AURKACHEK1EGFRMERTK
SCHEMBL14923138 0.86 AURKA (0.44) AURKACHEK1EGFRMERTK
SCHEMBL12409726 0.84 PPARG (0.39) AURKACHEK1EGFRAURKBMERTK
SCHEMBL12409728 0.83 AURKA (0.40) AURKACHEK1EGFRAURKBMERTK
SCHEMBL4530297 0.83 AURKA (0.47) AURKACHEK1EGFRAURKBMERTK
SCHEMBL6750702 0.82 KDM4E (0.54) AURKACHEK1EGFR
SCHEMBL6750708 0.82 KDM4E (0.54) AURKACHEK1EGFR

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 2987/4885CHEK1 800/4885EGFR 4267/4885

“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.