SCHEMBL12409644

SCHEMBL12409644

COC1CC=C(c2c(-c3ccccc3)oc3ncnc(OC(C)CCCCC(=O)OC(C)(C)C)c23)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.37
AURKA O14965 5/20 0.34
CHEK1 O14757 1/20 0.32
MERTK Q12866 1/20 0.32
TNK2 Q07912 3/20 0.31
JAK2 O60674 1/20 0.31
LCK P06239 1/20 0.31
SRC P12931 1/20 0.31
KDR P35968 1/20 0.31
ZAP70 P43403 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL3258651 1.00 EGFR (0.37) EGFRAURKACHEK1MERTKTNK2
SCHEMBL3257701 0.92 EGFR (0.36) EGFRAURKACHEK1MERTKTNK2
SCHEMBL12409638 0.92 EGFR (0.36) EGFRAURKACHEK1MERTKTNK2
SCHEMBL12409670 0.91 EGFR (0.40) EGFRAURKACHEK1MERTKTNK2
SCHEMBL2180143 0.91 EGFR (0.40) EGFRAURKACHEK1MERTKTNK2
SCHEMBL12409636 0.90 AURKA (0.38) EGFRAURKACHEK1TNK2JAK2
SCHEMBL2180924 0.90 AURKA (0.38) EGFRAURKACHEK1TNK2JAK2
SCHEMBL12409631 0.87 AURKA (0.37) EGFRAURKACHEK1MERTKTNK2
SCHEMBL2180183 0.87 AURKA (0.37) EGFRAURKACHEK1MERTKTNK2
SCHEMBL2178584 0.86 AURKA (0.36) EGFRAURKACHEK1MERTKTNK2

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
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US 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 EGFR 4267/4885AURKA 2987/4885CHEK1 800/4885

“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.