SCHEMBL3079930

SCHEMBL3079930

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

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.39
TAB1 Q15750 2/20 0.39
AURKA O14965 3/20 0.37
EGFR P00533 14/20 0.36
CHEK1 O14757 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
SCHEMBL3079927 1.00 MAP3K7 (0.39) MAP3K7TAB1AURKAEGFRCHEK1
SCHEMBL3069022 0.91 EGFR (0.38) AURKAEGFRCHEK1
SCHEMBL3069029 0.91 EGFR (0.38) AURKAEGFRCHEK1
SCHEMBL13093748 0.91 AURKA (0.36) MAP3K7TAB1AURKAEGFRCHEK1
SCHEMBL3067804 0.90 AURKA (0.37) MAP3K7TAB1AURKAEGFRCHEK1
SCHEMBL3067808 0.90 AURKA (0.37) MAP3K7TAB1AURKAEGFRCHEK1
SCHEMBL3079948 0.89 AURKA (0.36) MAP3K7TAB1AURKAEGFRCHEK1
SCHEMBL3079940 0.89 AURKA (0.36) MAP3K7TAB1AURKAEGFRCHEK1
SCHEMBL3068665 0.88 AURKA (0.41) MAP3K7TAB1AURKAEGFRCHEK1
SCHEMBL3068670 0.88 AURKA (0.41) MAP3K7TAB1AURKAEGFRCHEK1

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 MAP3K7 1761/4885TAB1 2366/4885AURKA 2963/4885

“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.