SCHEMBL234726

SCHEMBL234726

Cc1cc2ncc3cc(-c4cccc(C#N)c4)c(=O)[nH]c3n2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.42
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA2 P47869 2/20 0.39
PIN1 Q13526 1/20 0.38
TYMP P19971 1/20 0.38
XDH P47989 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
BRD4 O60885 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
ADORA2A P29274 1/20 0.36
F11 P03951 1/20 0.36
PGR P06401 1/20 0.36
MAP4K4 O95819 1/20 0.36
GSK3A P49840 1/20 0.36
NTRK1 P04629 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 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
SCHEMBL238712 0.89 HPGD (0.40) PLATTYMPEGLN2TDP2
SCHEMBL236940 0.86 KDR (0.41) TYMPXDH
SCHEMBL237769 0.85 AURKA (0.46)
SCHEMBL236899 0.84 CHEK1 (0.51) PLATXDH
SCHEMBL238752 0.82 ALDH1A1 (0.45) PLAT
SCHEMBL236941 0.82 GABRA1 (0.41) PLATGABRA1GABRG2GABRB3GABRA2
SCHEMBL238222 0.81 KMT2A (0.43) PLAT
SCHEMBL236176 0.79 HTT (0.47)
SCHEMBL238920 0.78 NPC1 (0.56)
SCHEMBL237778 0.78 POLB (0.47) PLATBRD4ADORA2A

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 6 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
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 PLAT 1906/4885GABRA1 4303/4885GABRG2 3869/4885

“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.