SCHEMBL15053285

SCHEMBL15053285

[2H]C([2H])(c1ccnc2[nH]ccc12)N1CCc2c(NC(=O)Nc3cccc(OC(F)(F)F)c3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.42
KDR P35968 4/20 0.42
MAPK14 Q16539 1/20 0.42
TNNI3K Q59H18 1/20 0.42
P2RY1 P47900 14/20 0.41
BTK Q06187 1/20 0.40

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
SCHEMBL15053997 0.93 P2RY1 (0.47) P2RY1
SCHEMBL3707598 0.93 BRAF (0.43) BRAFKDRMAPK14TNNI3KP2RY1
SCHEMBL15052785 0.90 CYP2D6 (0.48) BRAFBTK
SCHEMBL15052956 0.90 P2RY1 (0.44) P2RY1
SCHEMBL15053934 0.89 P2RY1 (0.39) P2RY1
SCHEMBL15053469 0.89 KDR (0.51) BRAFKDRMAPK14TNNI3K
SCHEMBL15054214 0.88 BTK (0.42) BRAFBTK
SCHEMBL15052837 0.87 AURKA (0.42) BRAFBTK
SCHEMBL15052619 0.86 BRAF (0.40) BRAFKDRBTK
SCHEMBL15054385 0.86 STING1 (0.41) BRAFBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US claimed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 BRAF 90/4885KDR 1965/4885MAPK14 113/4885

“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.