SCHEMBL3053586

SCHEMBL3053586

CCc1ccc(-c2c(-c3ccccc3)oc3nccc(OCCOCCC(=O)O)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.42
CHEK1 O14757 3/20 0.41
EGFR P00533 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
UBE2N P61088 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AURKB Q96GD4 1/20 0.37
TNK2 Q07912 2/20 0.36
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36
JAK3 P52333 1/20 0.36
MAP2K1 Q02750 1/20 0.35

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
SCHEMBL13087632 0.89 AURKA (0.40) AURKACHEK1EGFRKDM4EALDH1A1
SCHEMBL3051118 0.87 CHEK1 (0.41) AURKACHEK1EGFRKDM4EALDH1A1
SCHEMBL3053707 0.86 AURKA (0.47) AURKACHEK1EGFRKDM4EALDH1A1
SCHEMBL13985690 0.86 AURKA (0.41) AURKACHEK1EGFRKDM4EALDH1A1
SCHEMBL3056028 0.84 CHEK1 (0.44) AURKACHEK1EGFRKDM4EALDH1A1
SCHEMBL13087309 0.81 AURKA (0.39) AURKACHEK1EGFRKDM4EALDH1A1
SCHEMBL3052580 0.80 AURKA (0.40) AURKACHEK1EGFRKDM4EALDH1A1
SCHEMBL3047782 0.79 LCK (0.43) AURKACHEK1AURKBTNK2LCK
SCHEMBL13985760 0.77 AURKA (0.41) AURKACHEK1EGFRKDM4EALDH1A1
SCHEMBL6750805 0.76 AURKA (0.45) AURKACHEK1EGFRKDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
EP-2167482-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer Schering Pharma AG (DE) 2010-03-31 EP disclosed
WO-2008155017-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES 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-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE HMGCR, PCSK9, FABP3 AURKA 4412/4885CHEK1 3335/4885EGFR 4597/4885

“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.