SCHEMBL12409604

SCHEMBL12409604

CC(CCCCC(=O)OC(C)(C)C)Oc1ncnc2oc(-c3ccccc3)c(Br)c12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.40
AURKA O14965 3/20 0.38
CHEK1 O14757 2/20 0.35
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

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
SCHEMBL2182306 1.00 EGFR (0.40) EGFRAURKACHEK1MAPTLMNA
SCHEMBL2178672 0.89 EGFR (0.44) EGFRAURKACHEK1
SCHEMBL13093741 0.88 AURKA (0.37) EGFRAURKACHEK1MAPTLMNA
SCHEMBL13093740 0.87 AURKA (0.38) EGFRAURKACHEK1
SCHEMBL3067590 0.86 AURKA (0.35) EGFRAURKACHEK1
SCHEMBL3067592 0.86 AURKA (0.35) EGFRAURKACHEK1
SCHEMBL6750681 0.85 KDM4E (0.49) EGFRAURKACHEK1MAPTPOLB
SCHEMBL6750654 0.85 KDM4E (0.49) EGFRAURKACHEK1MAPTPOLB
SCHEMBL4527244 0.85 KDM4E (0.49) EGFRAURKACHEK1MAPTPOLB
SCHEMBL13093742 0.84 AURKA (0.36) EGFRAURKACHEK1

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.