SCHEMBL3056028

SCHEMBL3056028

CCc1ccc(-c2c(-c3ccccc3)oc3nccc(OCCCO)c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.44
AURKA O14965 8/20 0.44
MAP2K1 Q02750 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
UBE2N P61088 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAD52 P43351 1/20 0.40
TNK2 Q07912 4/20 0.39
LCK P06239 3/20 0.39
KDR P35968 3/20 0.39
JAK3 P52333 3/20 0.39
EGFR P00533 1/20 0.39
CDK1 P06493 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3053707 0.96 AURKA (0.47) CHEK1AURKAMAP2K1KMT2AKDM4E
SCHEMBL3051118 0.86 CHEK1 (0.41) CHEK1AURKAKMT2AMEN1KDM4E
SCHEMBL3053586 0.84 AURKA (0.42) CHEK1AURKAMAP2K1KDM4EALDH1A1
SCHEMBL13087468 0.83 KDM4E (0.57) CHEK1AURKAMAP2K1KMT2AMEN1
SCHEMBL13087309 0.82 AURKA (0.39) CHEK1AURKAKDM4EALDH1A1HPGD
SCHEMBL13087632 0.80 AURKA (0.40) CHEK1AURKAKDM4EALDH1A1HPGD
SCHEMBL13097717 0.79 TNK2 (0.47) CHEK1AURKAMAP2K1KMT2AMEN1
SCHEMBL3051089 0.78 TNK2 (0.45) CHEK1AURKAMAP2K1KMT2AMEN1
SCHEMBL3052580 0.77 AURKA (0.40) CHEK1AURKAKDM4EALDH1A1HPGD
SCHEMBL13985760 0.75 AURKA (0.41) CHEK1AURKAKDM4EALDH1A1HPGD

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 6 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
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 CHEK1 3335/4885AURKA 4412/4885MAP2K1 3596/4885

“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.