SCHEMBL5489238

SCHEMBL5489238

CCN(CC)CCCC(C)Nc1ncc2cc(-c3ccc(OCc4ccccc4)nc3C)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 7/20 0.44
CACNA2D1 P54289 5/20 0.43
SLC2A1 P11166 1/20 0.42
KCNH3 Q9ULD8 1/20 0.40
RPS6KB1 P23443 1/20 0.39

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
SCHEMBL14568570 0.85 CCR4 (0.47) CCR4CACNA2D1KCNH3
SCHEMBL5504231 0.83 CCR4 (0.43) CCR4CACNA2D1SLC2A1KCNH3
SCHEMBL5490179 0.83 CCR4 (0.43) CCR4CACNA2D1SLC2A1KCNH3
SCHEMBL14569082 0.83 CCR4 (0.43) CCR4CACNA2D1SLC2A1KCNH3
SCHEMBL5498051 0.82 CCR4 (0.44) CCR4CACNA2D1KCNH3
SCHEMBL5496656 0.77 BRAF (0.46) CCR4CACNA2D1SLC2A1KCNH3RPS6KB1
SCHEMBL5496328 0.77 BRAF (0.46) CCR4CACNA2D1SLC2A1KCNH3RPS6KB1
SCHEMBL5498963 0.77 BRAF (0.46) CCR4CACNA2D1SLC2A1KCNH3RPS6KB1
SCHEMBL5501587 0.77 CCR4 (0.42) CCR4CACNA2D1SLC2A1RPS6KB1
SCHEMBL14569086 0.76 CCR4 (0.43) CCR4CACNA2D1SLC2A1KCNH3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 CCR4 980/4885CACNA2D1 4841/4885SLC2A1 3599/4885

“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.