SCHEMBL3056396

SCHEMBL3056396

COc1ccc(-c2c(-c3ccccc3)oc3ccnc(NCC(C)(C)COCC(=O)O)c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CHEK1 O14757 2/20 0.42
CDK1 P06493 1/20 0.42
TNK2 Q07912 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
UBE2N P61088 1/20 0.40
KDR P35968 3/20 0.40
TEK Q02763 2/20 0.40
AURKB Q96GD4 1/20 0.39
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
CNR2 P34972 3/20 0.37
PPARD Q03181 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13087511 0.92 AURKA (0.41) AURKAKDM4EALDH1A1CHEK1CDK1
SCHEMBL3053705 0.86 CHEK1 (0.48) AURKAKDM4EALDH1A1CHEK1CDK1
SCHEMBL3056291 0.79 KMT2A (0.52) AURKAKDM4EALDH1A1CHEK1CDK1
SCHEMBL3055834 0.77 ALDH1A1 (0.46) AURKAKDM4EALDH1A1MEN1KMT2A
SCHEMBL3047793 0.76 KMT2A (0.47) AURKAKDM4EALDH1A1CHEK1CDK1
SCHEMBL4539975 0.76 KDM4E (0.55) AURKAKDM4EALDH1A1CHEK1CDK1
SCHEMBL14463699 0.74 KDM4E (0.53) AURKAKDM4EALDH1A1CHEK1CDK1
SCHEMBL13087315 0.72 KDR (0.43) AURKAKDM4EALDH1A1MEN1KMT2A
SCHEMBL6748506 0.69 CHEK1 (0.82) AURKAKDM4EALDH1A1CHEK1CDK1
SCHEMBL3047792 0.69 ALDH1A1 (0.55) KDM4EALDH1A1TNK2MEN1KMT2A

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-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
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 4412/4885KDM4E 3917/4885ALDH1A1 1360/4885

“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.