SCHEMBL238612

SCHEMBL238612

Cc1cc2ncc3cc(-c4ccccc4C(F)(F)F)c(=O)[nH]c3n2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.41
TRPM8 Q7Z2W7 3/20 0.41
TRPV1 Q8NER1 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
PLAT P00750 1/20 0.40
MDM2 Q00987 4/20 0.39
MAPKAPK2 P49137 1/20 0.37
HCAR1 Q9BXC0 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSD11B1 P28845 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL3248277 0.86 ADORA2A (0.40) TSHRUSP2PLAT
SCHEMBL238115 0.85 PKM (0.38) TSHRUSP2PLATHPGD
SCHEMBL239674 0.84 TP53 (0.40) HPGDHSD17B10
SCHEMBL237769 0.82 AURKA (0.46) HPGDHSD17B10
SCHEMBL236941 0.82 GABRA1 (0.41) PLATHPGDPDE10A
SCHEMBL238383 0.82 KDM4E (0.41) TSHRPLATHPGD
SCHEMBL237778 0.78 POLB (0.47) TSHRUSP2PLATHPGDHSD17B10
SCHEMBL238746 0.77 PLAT (0.39) PLATHPGD
SCHEMBL236940 0.77 KDR (0.41) HPGD
SCHEMBL236019 0.77 PLAT (0.35) PLATMAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 TRPA1 4818/4885TRPM8 4524/4885TRPV1 4756/4885

“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.