SCHEMBL239177

SCHEMBL239177

COc1ccc(-c2cc3cnc4cc(C)nn4c3nc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
HPGD P15428 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TP53 P04637 2/20 0.47
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 5/20 0.43
STAT1 P42224 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 6/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.40
PKM P14618 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL237487 0.88 RXFP1 (0.43) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL2755334 0.86 NPC1 (0.43) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL234727 0.86 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL237892 0.86 RAB9A (0.49) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL235881 0.85 RAB9A (0.48) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL3253997 0.85 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL238454 0.84 HTT (0.49) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL238620 0.80 NPC1 (0.43) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL239031 0.80 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL236385 0.79 DYRK3 (0.43) NPC1RAB9ASMN1; SMN2HPGDMEN1

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 NPC1 1127/4885RAB9A 778/4885SMN1; SMN2 3442/4885

“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.