SCHEMBL5502290

SCHEMBL5502290

CCN(CC)CCCC(C)Nc1ncc2cc(-c3c(C)cc[nH]c3=O)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 6/20 0.42
RPS6KB1 P23443 2/20 0.41
MAPT P10636 2/20 0.41
RAC1 P63000 1/20 0.41
CACNA2D1 P54289 4/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRNP P04156 1/20 0.39
APP P05067 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
NQO2 P16083 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
MTOR P42345 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
SCHEMBL5503962 1.00 CCR4 (0.42) CCR4RPS6KB1MAPTRAC1CACNA2D1
SCHEMBL14569085 1.00 CCR4 (0.42) CCR4RPS6KB1MAPTRAC1CACNA2D1
SCHEMBL14568562 0.82 CCR4 (0.43) CCR4MAPTRAC1CACNA2D1CYP2D6
SCHEMBL14569087 0.82 CCR4 (0.42) CCR4RPS6KB1MAPTRAC1CACNA2D1
SCHEMBL21402158 0.82 CCR4 (0.42) CCR4RPS6KB1MAPTRAC1CACNA2D1
SCHEMBL5502127 0.82 CCR4 (0.42) CCR4RPS6KB1MAPTRAC1CACNA2D1
SCHEMBL5501587 0.79 CCR4 (0.42) CCR4RPS6KB1MAPTRAC1CACNA2D1
SCHEMBL5496656 0.78 BRAF (0.46) CCR4RPS6KB1MAPTRAC1CACNA2D1
SCHEMBL5496328 0.78 BRAF (0.46) CCR4RPS6KB1MAPTRAC1CACNA2D1
SCHEMBL5498963 0.78 BRAF (0.46) CCR4RPS6KB1MAPTRAC1CACNA2D1

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
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP claimed
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
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US 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 980/4885RPS6KB1 256/4885MAPT 4333/4885

“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.