SCHEMBL238624

SCHEMBL238624

Clc1nc2c(cnc3cc(C4CCC4)nn32)cc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
FYN P06241 1/20 0.36
CHEK1 O14757 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
ADORA1 P30542 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2B P29275 2/20 0.35
ADORA2A P29274 2/20 0.34
MAPT P10636 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
AKT1 P31749 3/20 0.34
AKT2 P31751 3/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 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
SCHEMBL234372 0.95 FYN (0.40) RAB9ANPC1SMN1; SMN2KDM4EFYN
SCHEMBL235881 0.79 RAB9A (0.48) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL237735 0.78 KDM4E (0.38) RAB9ANPC1SMN1; SMN2KDM4ECCNA2
SCHEMBL239877 0.78 NPC1 (0.49) RAB9ANPC1SMN1; SMN2KDM4EFYN
SCHEMBL236310 0.77 KDM4E (0.48) RAB9ANPC1SMN1; SMN2KDM4EFYN
SCHEMBL2755217 0.77 KDM4E (0.48) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL236731 0.77 RAB9A (0.39) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL238625 0.76 NPC1 (0.44) RAB9ANPC1SMN1; SMN2KDM4EFYN
SCHEMBL236906 0.76 RAB9A (0.40) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL239223 0.76 PARP1 (0.41) RAB9ANPC1SMN1; SMN2KDM4EFYN

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 778/4885NPC1 1127/4885SMN1; 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.