SCHEMBL2179819

SCHEMBL2179819

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.40
AURKA O14965 5/20 0.38
CHEK1 O14757 3/20 0.35
LCK P06239 2/20 0.32
TNK2 Q07912 2/20 0.32
JAK2 O60674 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
ZAP70 P43403 1/20 0.32
JAK3 P52333 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAP2K1 Q02750 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
SCHEMBL4533499 0.85 KDM4E (0.49) EGFRAURKACHEK1LCKTNK2
SCHEMBL6750785 0.85 KDM4E (0.49) EGFRAURKACHEK1LCKTNK2
SCHEMBL2179813 0.84 EGFR (0.43) EGFRAURKACHEK1TNK2HPGD
SCHEMBL12409713 0.83 AURKA (0.39) EGFRAURKACHEK1
SCHEMBL12409604 0.82 EGFR (0.40) EGFRAURKACHEK1MAPTLMNA
SCHEMBL2182306 0.82 EGFR (0.40) EGFRAURKACHEK1MAPTLMNA
SCHEMBL12409628 0.79 AURKA (0.31) AURKA
SCHEMBL12409625 0.79 TEK (0.35) AURKACHEK1KDRPOLBHPGD
SCHEMBL2179823 0.79 EGFR (0.41) EGFRAURKACHEK1TNK2HPGD
SCHEMBL12409716 0.78 AURKA (0.35) EGFRAURKACHEK1KDR

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 4 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
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.