SCHEMBL2179823

SCHEMBL2179823

C[C@@H](COc1ncnc2oc(-c3ccccc3)c(Br)c12)OC(CC(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.41
CHEK1 O14757 3/20 0.38
AURKA O14965 6/20 0.37
AURKB Q96GD4 1/20 0.33
MAP2K1 Q02750 1/20 0.32
TNK2 Q07912 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
UBE2N P61088 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MERTK Q12866 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
SCHEMBL2179813 0.83 EGFR (0.43) EGFRCHEK1AURKAMAP2K1TNK2
SCHEMBL2179819 0.79 EGFR (0.40) EGFRCHEK1AURKAMAP2K1TNK2
SCHEMBL2182310 0.74 EGFR (0.41) EGFRCHEK1AURKAMAP2K1TNK2
SCHEMBL2225928 0.74 EGFR (0.43) EGFRCHEK1AURKAAURKBMAP2K1
SCHEMBL2225938 0.74 EGFR (0.43) EGFRCHEK1AURKAAURKBMAP2K1
SCHEMBL2178672 0.74 EGFR (0.44) EGFRCHEK1AURKAMAP2K1TNK2
SCHEMBL12409624 0.73 AURKA (0.47) EGFRCHEK1AURKAKDM4EALDH1A1
SCHEMBL2177094 0.73 RIPK1 (0.38) EGFRAURKAAURKB
SCHEMBL2179734 0.73 KDR (0.46) EGFRCHEK1AURKB
SCHEMBL12409604 0.71 EGFR (0.40) EGFRCHEK1AURKAHPGD

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-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 EGFR 4267/4885CHEK1 800/4885AURKA 2987/4885

“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.