SCHEMBL238696

SCHEMBL238696

Cc1cc2ncc3c(O)c(-c4ccccc4)c(O)nc3n2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
PKM P14618 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
FYN P06241 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL237575 0.80 NPC1 (0.47) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL239150 0.78 AURKA (0.43) AURKAPKMMEN1KMT2AMAPT
SCHEMBL238529 0.77 AURKA (0.44) AURKAPKMMEN1KMT2AMAPT
SCHEMBL238579 0.76 AKT1 (0.42)
SCHEMBL238578 0.76 AKT1 (0.42)
SCHEMBL238508 0.73 MAPT (0.45) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL2964886 0.73 NPC1 (0.47) AURKAMEN1KMT2AMAPTKDM4E
SCHEMBL18797678 0.71 AURKA (0.48) AURKAPKMMEN1KMT2AMAPT
SCHEMBL235505 0.71 CYP1A2 (0.43) AURKAPKMMEN1KMT2AKDM4E
SCHEMBL239332 0.69 AKT1 (0.44)

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
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 AURKA 470/4885PKM 1894/4885MEN1 1044/4885

“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.