SCHEMBL236731

SCHEMBL236731

CC(C)c1cc2ncc3cc(-c4ccccc4)c(Cl)nc3n2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
KDM4E B2RXH2 6/20 0.39
NPC1 O15118 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
STAT1 P42224 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CD O00329 4/20 0.35
NPSR1 Q6W5P4 2/20 0.34
AHR P35869 1/20 0.34
PIK3R2 O00459 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL235881 0.85 RAB9A (0.48) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL240104 0.85 PIK3CD (0.35) RAB9ANPC1L3MBTL1PIK3CDPIK3R2
SCHEMBL236504 0.82 RAB9A (0.39) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL239555 0.81 CYP11B1 (0.36) RAB9AKDM4ENPC1ALDH1A1L3MBTL1
SCHEMBL2755217 0.81 KDM4E (0.48) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL3256746 0.80 RAB9A (0.36) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL239877 0.80 NPC1 (0.49) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL237735 0.80 KDM4E (0.38) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL237950 0.80 KDM4E (0.39) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL236310 0.79 KDM4E (0.48) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1

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 RAB9A 778/4885KDM4E 2166/4885NPC1 1127/4885

“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.