SCHEMBL238677

SCHEMBL238677

Cc1cc2ncc3nc(-c4ccccc4)c(Cl)nc3n2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
PKM P14618 2/20 0.44
AURKA O14965 1/20 0.44
RAB9A P51151 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
GPR55 Q9Y2T6 1/20 0.37
CYP1A2 P05177 4/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 2/20 0.37
CASP1 P29466 2/20 0.37
CYP2C19 P33261 2/20 0.37

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
SCHEMBL238529 0.85 AURKA (0.44) PKMAURKARAB9AMEN1KMT2A
SCHEMBL234554 0.82 KDM4E (0.40) KDM4EPKMRAB9AMEN1KMT2A
SCHEMBL235881 0.79 RAB9A (0.48) KDM4EPKMAURKARAB9AMEN1
SCHEMBL236760 0.78 KDM4E (0.47) KDM4EPKMMEN1KMT2ATP53
SCHEMBL239150 0.77 AURKA (0.43) KDM4EPKMAURKARAB9AMEN1
SCHEMBL16995235 0.74 AURKA (0.38) PKMAURKAMAPK1
SCHEMBL2755206 0.74 AURKA (0.46) KDM4EPKMAURKARAB9AKMT2A
SCHEMBL238168 0.74 AKT1 (0.46)
SCHEMBL238495 0.74 AKT1 (0.46)
SCHEMBL18797678 0.72 AURKA (0.48) KDM4EPKMAURKARAB9AMEN1

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 KDM4E 2166/4885PKM 1894/4885AURKA 470/4885

“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.