SCHEMBL238993

SCHEMBL238993

COc1ccc(-c2cc3cnc4cc(C)nn4c3[nH]c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
ALDH1A1 P00352 5/20 0.42
STAT1 P42224 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TP53 P04637 2/20 0.40
PKM P14618 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
PLAT P00750 1/20 0.39
MAPT P10636 2/20 0.39
ADORA3 P0DMS8 4/20 0.39
ADORA1 P30542 3/20 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
SCHEMBL238752 0.88 ALDH1A1 (0.45) HSD17B10ALDH1A1KDM4EPKMPLAT
SCHEMBL237778 0.86 POLB (0.47) HPGDHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL238920 0.86 NPC1 (0.56) HPGDMAPK1HSD17B10NPC1RAB9A
SCHEMBL237769 0.86 AURKA (0.46) HPGDHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL237870 0.86 NPC1 (0.60) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL236176 0.85 HTT (0.47) HPGDHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL238712 0.83 HPGD (0.40) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL238383 0.81 KDM4E (0.41) HPGDRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL236940 0.81 KDR (0.41) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL238222 0.80 KMT2A (0.43) HPGDHSD17B10ALDH1A1KMT2AKDM4E

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
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

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 HPGD 3459/4885MAPK1 171/4885HSD17B10 2830/4885

“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.