SCHEMBL1367495

SCHEMBL1367495

Cn1c(=O)n(-c2ncccc2CN(c2cccnc2)c2cccnc2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.35
NPEPPS P55786 1/20 0.34
KCNA5 P22460 5/20 0.34
KCNN4 O15554 2/20 0.34
GSR P00390 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GSK3B P49841 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE10A Q9Y233 1/20 0.33
GABRA5 P31644 1/20 0.32

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
SCHEMBL1369076 0.89 GRM5 (0.36) PRKDCKCNA5KCNN4NOS3NOS1
SCHEMBL1367775 0.82 AR (0.36) KCNA5KCNN4NOS3NOS1NOS2
SCHEMBL1369842 0.82 GRM5 (0.37) PRKDCKCNA5KCNN4NOS3NOS1
SCHEMBL1370175 0.79 GABRP (0.42) PRKDCNPEPPSKCNA5KCNN4NOS3
SCHEMBL1369018 0.76 CYP17A1 (0.46) ALDH1A1
SCHEMBL1367397 0.73 NOS3 (0.35) PRKDCNPEPPSNOS3NOS1NOS2
SCHEMBL1368624 0.72 CYP17A1 (0.43) ALDH1A1
SCHEMBL1369299 0.70 CYP17A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL1368945 0.70 HTR2C (0.35) PRKDCKCNA5KCNN4NOS3NOS1
SCHEMBL1369973 0.68 PIK3CA (0.45) ALDH1A1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US claimed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO 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-20100004229-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 PRKDC 3452/4885NPEPPS 2865/4885KCNA5 20/4885

“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.