SCHEMBL115774

SCHEMBL115774

CC(=O)Nc1cc(Cl)nc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ADORA3 P0DMS8 8/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTK2 Q05397 1/20 0.43
ADORA2A P29274 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ADORA1 P30542 2/20 0.41
ADORA2B P29275 2/20 0.41
S1PR2 O95136 1/20 0.41
PIK3CG P48736 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL1489997 0.83 ATF1 (0.48) NPC1RAB9AADORA3L3MBTL1PTK2
SCHEMBL14667356 0.81 ADORA1 (0.46) NPC1RAB9AL3MBTL1GAANPSR1
SCHEMBL27910467 0.81 NPC1 (0.41) NPC1RAB9AGAANPSR1MEN1
SCHEMBL15942896 0.80 CYP2D6 (0.51) ADORA3L3MBTL1GAAPTK2ADORA2A
SCHEMBL4443611 0.78 LCK (0.41) NPC1RAB9AMEN1KMT2A
SCHEMBL3280779 0.77 ADORA3 (0.56) ADORA3L3MBTL1GAAPTK2ADORA2A
SCHEMBL30515308 0.76 ADORA3 (0.49) ADORA3L3MBTL1PTK2ADORA2AADORA1
SCHEMBL4209614 0.76 NPC1 (0.43) NPC1RAB9AL3MBTL1GAANPSR1
SCHEMBL30938609 0.76 ADORA3 (0.45) ADORA3L3MBTL1PTK2ADORA2AADORA1
SCHEMBL29331753 0.76 ADORA3 (0.45) ADORA3L3MBTL1PTK2ADORA2AADORA1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102548984-B The inhibitor of PI3 kinases and/or MTOR AMGEN INC. (US) 2015-11-25 CN disclosed
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
WO-2014078214-A1 AZETIDINE BENZIMIDAZOLES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-05-22 WO disclosed
WO-2014078214-A1 AZETIDINE BENZIMIDAZOLES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-05-22 WO disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
CN-102548984-A Inhibitors of PI3 kinase and / or MTOR AMGEN INC 2012-07-04 CN disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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 (2 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD NPC1 479/4885RAB9A 545/4885ADORA3 3789/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD NPC1 479/4885RAB9A 545/4885ADORA3 3789/4885

“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.