SCHEMBL2178586

SCHEMBL2178586

C[C@H](CCCC(C(=O)O)C(C)(C)C)Oc1ncnc2oc(-c3ccccc3)c(C3=CCCCC3)c12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.36
AURKA O14965 7/20 0.35
EGFR P00533 7/20 0.35
CHEK1 O14757 2/20 0.35
LCK P06239 2/20 0.33
TNK2 Q07912 2/20 0.33
JAK2 O60674 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
ZAP70 P43403 1/20 0.33
JAK3 P52333 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL2180189 0.98 AURKA (0.36) MERTKAURKAEGFRCHEK1LCK
SCHEMBL2180431 0.87 CHEK1 (0.38) MERTKAURKAEGFRCHEK1LCK
SCHEMBL2178584 0.86 AURKA (0.36) MERTKAURKAEGFRCHEK1LCK
SCHEMBL2180927 0.86 AURKA (0.37) MERTKAURKAEGFRCHEK1LCK
SCHEMBL3259242 0.85 AURKA (0.38) MERTKAURKAEGFRCHEK1LCK
SCHEMBL12409654 0.85 CHEK1 (0.39) MERTKAURKAEGFRCHEK1LCK
SCHEMBL2180134 0.85 CHEK1 (0.39) MERTKAURKAEGFRCHEK1LCK
SCHEMBL12409631 0.84 AURKA (0.37) MERTKAURKAEGFRCHEK1LCK
SCHEMBL2180183 0.84 AURKA (0.37) MERTKAURKAEGFRCHEK1LCK
SCHEMBL3258517 0.83 AURKA (0.38) AURKAEGFRCHEK1LCKTNK2

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 MERTK 530/4885AURKA 2987/4885EGFR 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.