SCHEMBL3058071

SCHEMBL3058071

CCc1ccc(-c2c(-c3ccccc3)oc3nccc(NCC(C)(C)CO)c23)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.50
KDR P35968 10/20 0.50
JAK3 P52333 10/20 0.50
TNK2 Q07912 10/20 0.50
AURKA O14965 8/20 0.43
CHEK1 O14757 3/20 0.43
MAP2K1 Q02750 1/20 0.43

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
SCHEMBL3639101 0.86 LCK (0.47) LCKKDRJAK3TNK2AURKA
SCHEMBL3047782 0.84 LCK (0.43) LCKKDRJAK3TNK2AURKA
SCHEMBL3059041 0.82 LCK (0.41) LCKKDRJAK3TNK2AURKA
SCHEMBL3042868 0.78 LCK (0.50) LCKKDRJAK3TNK2AURKA
SCHEMBL13087630 0.77 LCK (0.45) LCKKDRJAK3TNK2AURKA
SCHEMBL13097717 0.76 TNK2 (0.47) LCKKDRJAK3TNK2AURKA
SCHEMBL3051089 0.75 TNK2 (0.45) LCKKDRJAK3TNK2AURKA
SCHEMBL3053707 0.75 AURKA (0.47) LCKKDRJAK3TNK2AURKA
SCHEMBL3056028 0.73 CHEK1 (0.44) LCKKDRJAK3TNK2AURKA
SCHEMBL3053705 0.71 CHEK1 (0.48) KDRTNK2AURKACHEK1MAP2K1

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 LCK 3301/4885KDR 1489/4885JAK3 3715/4885

“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.