SCHEMBL2178584

SCHEMBL2178584

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.36
MERTK Q12866 2/20 0.35
EGFR P00533 9/20 0.35
CHEK1 O14757 2/20 0.34
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

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
SCHEMBL12409631 0.98 AURKA (0.37) AURKAMERTKEGFRCHEK1LCK
SCHEMBL2180183 0.98 AURKA (0.37) AURKAMERTKEGFRCHEK1LCK
SCHEMBL2180431 0.91 CHEK1 (0.38) AURKAMERTKEGFRCHEK1LCK
SCHEMBL12409654 0.88 CHEK1 (0.39) AURKAMERTKEGFRCHEK1LCK
SCHEMBL2180134 0.88 CHEK1 (0.39) AURKAMERTKEGFRCHEK1LCK
SCHEMBL12409638 0.88 EGFR (0.36) AURKAMERTKEGFRCHEK1TNK2
SCHEMBL3257701 0.88 EGFR (0.36) AURKAMERTKEGFRCHEK1TNK2
SCHEMBL2180924 0.86 AURKA (0.38) AURKAEGFRCHEK1LCKTNK2
SCHEMBL12409644 0.86 EGFR (0.37) AURKAMERTKEGFRCHEK1LCK
SCHEMBL12409636 0.86 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 3 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
EP-2158206-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-03 EP disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO 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 2987/4885MERTK 530/4885EGFR 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.