SCHEMBL236941

SCHEMBL236941

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.41
GABRG2 P18507 5/20 0.41
GABRB3 P28472 5/20 0.41
GABRA2 P47869 4/20 0.41
PLAT P00750 1/20 0.39
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
KDM4E B2RXH2 4/20 0.36
PDE10A Q9Y233 1/20 0.36
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
GALR3 O60755 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
AURKA O14965 1/20 0.35
TDP2 O95551 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
SCHEMBL238115 0.86 PKM (0.38) PLATPKMHPGDNPC1RAB9A
SCHEMBL239674 0.84 TP53 (0.40) KDM4EPKMALDH1A1GAAHPGD
SCHEMBL237769 0.83 AURKA (0.46) KDM4EPKMALDH1A1GAAHPGD
SCHEMBL238712 0.83 HPGD (0.40) PLATKDM4EALDH1A1HPGDNPC1
SCHEMBL238383 0.83 KDM4E (0.41) PLATKDM4EALDH1A1GAAHPGD
SCHEMBL234726 0.82 PLAT (0.42) GABRA1GABRG2GABRB3GABRA2PLAT
SCHEMBL238612 0.82 TRPA1 (0.41) PLATPDE10AHPGD
SCHEMBL236940 0.78 KDR (0.41) KDM4EHPGDNPC1RAB9AAURKA
SCHEMBL236176 0.77 HTT (0.47) KDM4EHPGDNPC1RAB9AAURKA
SCHEMBL238236 0.77 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA2GABRA5

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 GABRA1 4303/4885GABRG2 3869/4885GABRB3 3769/4885

“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.