SCHEMBL15053326

SCHEMBL15053326

[2H]C([2H])(c1c[nH]c2ncccc12)n1ccc2c(NC(=O)Nc3cc(Cl)ccc3F)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.39
PPIF P30405 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BRAF P15056 2/20 0.37
DRD4 P21917 4/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
CACNA1F O60840 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR2A P28223 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
SCHEMBL15052548 0.93 PDPK1 (0.39) PDPK1PPIFMEN1KMT2ABRAF
SCHEMBL3707180 0.92 PDPK1 (0.42) PDPK1PPIFMEN1KMT2ABRAF
SCHEMBL15053044 0.91 BRAF (0.43) PDPK1MEN1KMT2ABRAFMTNR1A
SCHEMBL15052569 0.91 PDPK1 (0.39) PDPK1MEN1KMT2ABRAFDRD4
Hydrochloric Acid SCHEMBL3697552 0.91 DRD4 (0.42) PDPK1PPIFMEN1KMT2ABRAF
SCHEMBL15053884 0.91 MAPT (0.42) PDPK1PPIFMEN1KMT2ABRAF
SCHEMBL15053601 0.90 RIPK1 (0.48) BRAFRIPK1
SCHEMBL15053591 0.89 PTGER3 (0.42) PDPK1MEN1KMT2ABRAFLMNA
SCHEMBL15053874 0.89 RAB9A (0.46) PDPK1MEN1KMT2ABRAFDRD4
SCHEMBL15052964 0.89 FGFR1 (0.43) PDPK1MEN1KMT2ABRAFDRD4

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 PDPK1 128/4885PPIF 1303/4885MEN1 3044/4885

“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.