SCHEMBL13087997

SCHEMBL13087997

CCc1ccc(-c2c(-c3ccccc3)oc3nccc(O[C@H](C)CCCCC(=O)OC(C)(C)C)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.38
EGFR P00533 4/20 0.34
CHEK1 O14757 2/20 0.34
AURKB Q96GD4 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
UBE2N P61088 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LCK P06239 1/20 0.32
KDR P35968 1/20 0.32
JAK3 P52333 1/20 0.32
TNK2 Q07912 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
SCHEMBL3052580 0.90 AURKA (0.40) AURKAEGFRCHEK1AURKBPPARG
SCHEMBL13087632 0.82 AURKA (0.40) AURKAEGFRCHEK1AURKBKDM4E
SCHEMBL13087630 0.81 LCK (0.45) AURKACHEK1AURKBLCKKDR
SCHEMBL13087309 0.80 AURKA (0.39) AURKAEGFRCHEK1AURKBKDM4E
SCHEMBL12409712 0.80 AURKA (0.35) AURKAEGFRCHEK1AURKBPPARG
SCHEMBL12409630 0.79 AURKA (0.39) AURKAEGFRCHEK1AURKB
SCHEMBL4530297 0.78 AURKA (0.47) AURKAEGFRCHEK1AURKBKDM4E
SCHEMBL4530370 0.78 AURKA (0.34) AURKAEGFRCHEK1AURKBKDR
SCHEMBL4537720 0.78 AURKA (0.34) AURKAEGFRCHEK1AURKBKDR
SCHEMBL6750681 0.78 KDM4E (0.49) AURKAEGFRCHEK1KDM4EALDH1A1

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-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
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 4412/4885EGFR 4597/4885CHEK1 3335/4885

“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.