SCHEMBL18702115

SCHEMBL18702115

CC(C)(C)C(=O)N1CCn2cncc2C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.44
RIPK1 Q13546 2/20 0.42
CDK1 P06493 1/20 0.40
MYT1 Q01538 1/20 0.40
SPR P35270 1/20 0.40
SCN9A Q15858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
PDK2 Q15119 2/20 0.36
DCTPP1 Q9H773 1/20 0.36
HDAC6 Q9UBN7 3/20 0.35
HDAC8 Q9BY41 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL18711411 0.82 NAMPT (0.47) NAMPTCDK1MYT1SPRSCN9A
SCHEMBL30878026 0.78 NAMPT (0.50) NAMPTCDK1MYT1SPRSCN9A
SCHEMBL15998850 0.78 NAMPT (0.44) NAMPTCDK1MYT1SPRSCN9A
SCHEMBL14248999 0.73 RIPK1 (0.48) RIPK1SPRMEN1KMT2ACKS1B
SCHEMBL23309084 0.72 RIPK1 (0.43) RIPK1CDK1MYT1MEN1KMT2A
SCHEMBL12208897 0.72 NAMPT (0.45) NAMPTRIPK1CDK1MYT1SPR
SCHEMBL2736032 0.71 NAMPT (0.33) NAMPTCDK1MYT1SPR
SCHEMBL14249716 0.71 RIPK1 (0.39) RIPK1MEN1KMT2AHDAC6HDAC8
Trifluoroacetic Acid SCHEMBL25430229 0.71 NAMPT (0.39) NAMPTCDK1MYT1SPRSCN9A
SCHEMBL25428126 0.71 NAMPT (0.44) NAMPTCDK1MYT1SPRSCN9A

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-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR NAMPT 327/4885RIPK1 2586/4885CDK1 4003/4885

“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.