SCHEMBL15053599

SCHEMBL15053599

[2H]C([2H])(c1c[nH]c2ncccc12)n1ccc2c(NC(=O)Nc3cc(C)ccc3C(F)(F)F)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.37
CDK1 P06493 3/20 0.37
CCNB2 O95067 1/20 0.37
RET P07949 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
MAPT P10636 1/20 0.36
CDK2 P24941 3/20 0.36
HIPK2 Q9H2X6 2/20 0.36
PRKD3 O94806 2/20 0.36
FLT4 P35916 2/20 0.36
CSNK2A1 P68400 2/20 0.36
CDK5 Q00535 2/20 0.36
STK3 Q13188 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
MAP4K4 O95819 2/20 0.36
GSK3B P49841 2/20 0.36
PRKCG P05129 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL3703394 0.92 BRAF (0.38) BRAFCDK1CCNB2RETCCNB1
SCHEMBL15053081 0.91 KDM4E (0.45) BRAFCDK1CCNB2RETCCNB1
SCHEMBL15053044 0.90 BRAF (0.43) BRAFMAPTFLT4FLT3MEN1
SCHEMBL15054054 0.89 PRKD3 (0.38) BRAFCDK1TRPV1CDK2HIPK2
SCHEMBL15053274 0.87 PKM (0.45) MAPTIRAK4KDM4EMEN1KMT2A
SCHEMBL15052955 0.87 KMT2A (0.43) BRAFCDK1CCNB2RETCCNB1
SCHEMBL15053861 0.87 BRAF (0.47) BRAFMAPTKDM4EMTNR1AP2RY1
SCHEMBL15053264 0.86 PKM (0.42) MAPTIRAK4KDM4EMEN1KMT2A
SCHEMBL15053576 0.85 ALDH1A1 (0.44) CDK1CCNB2RETCCNB1CCNB3
SCHEMBL15053340 0.85 TRPV1 (0.48) BRAFTRPV1MAPTGSK3BKDM4E

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 90/4885CDK1 2/4885CCNB2 416/4885

“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.