SCHEMBL5498963

SCHEMBL5498963

CCN(CC)CCC[C@@H](C)Nc1ncc2cc(-c3cnccc3C)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.46
CCR4 P51679 5/20 0.44
SLC2A1 P11166 1/20 0.42
RPS6KB1 P23443 2/20 0.42
CACNA2D1 P54289 4/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRNP P04156 1/20 0.41
APP P05067 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
NQO2 P16083 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL5496656 1.00 BRAF (0.46) BRAFCCR4SLC2A1RPS6KB1CACNA2D1
SCHEMBL5496328 1.00 BRAF (0.46) BRAFCCR4SLC2A1RPS6KB1CACNA2D1
SCHEMBL5498139 0.84 BRAF (0.44) BRAFRPS6KB1ABL1
SCHEMBL14569086 0.84 CCR4 (0.43) CCR4SLC2A1CACNA2D1CYP2D6CYP2C19
SCHEMBL21402145 0.84 CCR4 (0.43) CCR4SLC2A1CACNA2D1CYP2D6CYP2C19
SCHEMBL5503974 0.84 CCR4 (0.43) CCR4SLC2A1CACNA2D1CYP2D6CYP2C19
SCHEMBL5504231 0.82 CCR4 (0.43) CCR4SLC2A1CACNA2D1CYP2D6CYP2C19
SCHEMBL14569082 0.82 CCR4 (0.43) CCR4SLC2A1CACNA2D1CYP2D6CYP2C19
SCHEMBL5490179 0.82 CCR4 (0.43) CCR4SLC2A1CACNA2D1CYP2D6CYP2C19
SCHEMBL21402158 0.81 CCR4 (0.42) CCR4SLC2A1RPS6KB1CACNA2D1MAPT

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
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP claimed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP claimed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US claimed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US 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 BRAF 100/4885CCR4 980/4885SLC2A1 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.