SCHEMBL15054097

SCHEMBL15054097

[2H]C([2H])(c1ccnc2[nH]ccc12)N1CCc2c(NC(=O)Nc3cc(Cl)ccc3F)cccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.38
BTK Q06187 3/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MET P08581 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
AKT2 P31751 2/20 0.35
GRIK1 P39086 1/20 0.34
AKT1 P31749 2/20 0.34
GOT1 P17174 1/20 0.34
MAP3K7 O43318 1/20 0.33
NUDT1 P36639 1/20 0.33

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
Hydrochloric Acid SCHEMBL15053595 0.99 BRAF (0.37) BRAFBTKMAPK1NPSR1MEN1
SCHEMBL3696236 0.92 BRAF (0.38) BRAFBTKMAPK1NPSR1MEN1
SCHEMBL15053835 0.91 BRAF (0.37) BRAFBTKMETJAK2JAK1
SCHEMBL15053898 0.91 KDR (0.41) BRAFBTK
SCHEMBL15053943 0.91 BTK (0.41) BRAFBTKMAPK1NPSR1KMT2A
SCHEMBL15053740 0.90 BRAF (0.48) BRAF
SCHEMBL15052980 0.90 BRAF (0.46) BRAFBTKMEN1KMT2AGOT1
SCHEMBL15053541 0.90 BTK (0.40) BRAFBTKMETJAK2JAK1
SCHEMBL15052734 0.89 ALDH1A1 (0.44) MAPK1MEN1KMT2A
SCHEMBL15053061 0.89 BRAF (0.38) BRAFBTKMEN1KMT2AMET

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 3 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
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 90/4885BTK 337/4885MAPK1 138/4885

“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.