SCHEMBL238113

SCHEMBL238113

Cc1cc2nc(C)c3cc(-c4ccccc4)c(Cl)nc3n2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 6/20 0.41
HPGD P15428 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.39
TP53 P04637 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL237950 0.88 KDM4E (0.39) RAB9AKDM4EALDH1A1MAPTNPC1
SCHEMBL236906 0.86 RAB9A (0.40) RAB9AKDM4EALDH1A1MAPTNPC1
SCHEMBL238508 0.84 MAPT (0.45) RAB9AKDM4EALDH1A1MAPTNPC1
SCHEMBL234704 0.83 MAPT (0.44) RAB9AKDM4EALDH1A1MAPTNPC1
SCHEMBL235881 0.81 RAB9A (0.48) RAB9AKDM4EALDH1A1MAPTNPC1
SCHEMBL236502 0.75 NPC1 (0.44) RAB9AKDM4EALDH1A1MAPTNPC1
SCHEMBL239150 0.73 AURKA (0.43) RAB9AKDM4EALDH1A1MAPTNPC1
SCHEMBL16995219 0.72 AKT1 (0.38) MAPT
SCHEMBL2755157 0.72 RAB9A (0.46) RAB9AKDM4EALDH1A1MAPTNPC1
SCHEMBL3246558 0.71 AKT1 (0.49)

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 RAB9A 778/4885KDM4E 2166/4885ALDH1A1 3980/4885

“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.