SCHEMBL238754

SCHEMBL238754

Cc1cc2ncc3cc(-c4ccccc4C)c(Cl)nc3n2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.37
AURKA O14965 1/20 0.36
HAVCR2 Q8TDQ0 1/20 0.35
CYP1A2 P05177 1/20 0.35
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
WEE1 P30291 1/20 0.33
LCK P06239 1/20 0.33
KDR P35968 1/20 0.33
JAK3 P52333 1/20 0.33
MAPK14 Q16539 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL238671 0.90 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL235500 0.88 KMT2A (0.40) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL239018 0.88 NPC1 (0.40) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL235881 0.86 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL239054 0.86 TSHR (0.45) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL238236 0.85 GABRA1 (0.42) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL240395 0.85 HSD11B1 (0.41) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL238176 0.81 MAOB (0.40) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL238571 0.81 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL238620 0.81 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MEN1TP53

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 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.