SCHEMBL3079948

SCHEMBL3079948

CCCC(=O)C=Cc1c(-c2ccccc2)oc2ncnc(O[C@H](C)CCCCC(=O)O)c12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.36
CHEK1 O14757 1/20 0.35
EGFR P00533 13/20 0.34
MAP3K7 O43318 1/20 0.34
TAB1 Q15750 1/20 0.34
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
NR4A2 P43354 1/20 0.32

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
SCHEMBL3079940 1.00 AURKA (0.36) AURKACHEK1EGFRMAP3K7TAB1
SCHEMBL3067808 0.95 AURKA (0.37) AURKACHEK1EGFRMAP3K7TAB1
SCHEMBL3067804 0.95 AURKA (0.37) AURKACHEK1EGFRMAP3K7TAB1
SCHEMBL13093747 0.91 AURKA (0.35) AURKACHEK1EGFRMAP3K7TAB1
SCHEMBL3066301 0.90 AURKA (0.37) AURKACHEK1EGFRMAP3K7TAB1
SCHEMBL3066308 0.90 AURKA (0.37) AURKACHEK1EGFRMAP3K7TAB1
SCHEMBL3068665 0.89 AURKA (0.41) AURKACHEK1EGFRMAP3K7TAB1
SCHEMBL3068670 0.89 AURKA (0.41) AURKACHEK1EGFRMAP3K7TAB1
SCHEMBL3079927 0.89 MAP3K7 (0.39) AURKACHEK1EGFRMAP3K7TAB1
SCHEMBL3079930 0.89 MAP3K7 (0.39) AURKACHEK1EGFRMAP3K7TAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267749-A1 TRISUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-21 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-20100267749-A1 TRISUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMS AURKA 2963/4885CHEK1 915/4885EGFR 3016/4885

“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.