SCHEMBL240104

SCHEMBL240104

CC(C)c1cc2ncc3cc(-c4ccccc4F)c(Cl)nc3n2n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.35
PIK3CG P48736 6/20 0.35
PIK3R2 O00459 4/20 0.35
NPC1 O15118 3/20 0.35
WEE1 P30291 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PAK1 Q13153 1/20 0.31
TGFBR1 P36897 1/20 0.31
SRC P12931 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL239018 0.86 NPC1 (0.40) PIK3CDPIK3CGPIK3R2NPC1RAB9A
SCHEMBL236731 0.85 RAB9A (0.39) PIK3CDPIK3R2NPC1RAB9AL3MBTL1
SCHEMBL238760 0.83 NPC1 (0.34) PIK3CDPIK3CGPIK3R2NPC1WEE1
SCHEMBL239555 0.79 CYP11B1 (0.36) NPC1RAB9AL3MBTL1BTK
SCHEMBL239636 0.76 DRD2 (0.36) PIK3CDPIK3CGPIK3R2NPC1RAB9A
SCHEMBL240034 0.76 KDM5B (0.38) PIK3CDPIK3CGPIK3R2NPC1SRC
SCHEMBL238754 0.74 NPC1 (0.41) PIK3CDPIK3CGPIK3R2NPC1WEE1
SCHEMBL238671 0.74 NPC1 (0.41) NPC1RAB9APAK1
SCHEMBL2755286 0.73 AKT1 (0.42)
SCHEMBL238270 0.73 AKT1 (0.42)

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 PIK3CD 1/4885PIK3CG 5/4885PIK3R2 15/4885

“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.