SCHEMBL3047783

SCHEMBL3047783

COc1ccc(-c2c(-c3ccccc3)[nH]c3ncnc(O[C@H](C)CCCCC(=O)O)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.49
TNK2 Q07912 5/20 0.45
CHEK1 O14757 3/20 0.44
CDK1 P06493 3/20 0.44
LTB4R Q15722 1/20 0.40
ERBB2 P04626 3/20 0.39
HDAC1 Q13547 2/20 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
SCHEMBL3638862 1.00 EGFR (0.49) EGFRTNK2CHEK1CDK1LTB4R
SCHEMBL6750708 0.81 KDM4E (0.54) EGFRTNK2CHEK1CDK1
SCHEMBL3049690 0.81 MCL1 (0.43) LTB4RHDAC1
SCHEMBL6750702 0.81 KDM4E (0.54) EGFRTNK2CHEK1CDK1
SCHEMBL4530234 0.81 KDM4E (0.54) EGFRTNK2CHEK1CDK1
SCHEMBL4519959 0.80 KDM4E (0.53) EGFRTNK2CHEK1CDK1
SCHEMBL4519965 0.80 KDM4E (0.53) EGFRTNK2CHEK1CDK1
Monoethanolamine SCHEMBL4531691 0.78 KDM4E (0.52) EGFRTNK2CHEK1CDK1
SCHEMBL3047778 0.78 KDM4E (0.41) TNK2LTB4R
SCHEMBL3047818 0.77 HTT (0.39) LTB4R

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 EGFR 4597/4885TNK2 1612/4885CHEK1 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.