SCHEMBL1888686

SCHEMBL1888686

CC(=O)Nc1nc(C)c(-c2ccnc(N3CCOCC3)c2)s1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.60
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
CLK1 P49759 1/20 0.53
RAB9A P51151 1/20 0.53
PIK3CA P42336 8/20 0.50
PIK3CD O00329 7/20 0.50
PIK3CB P42338 7/20 0.50
RAF1 P04049 5/20 0.48
BRAF P15056 5/20 0.48

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
SCHEMBL5048755 0.85 NPC1 (0.51) PIK3CGNPC1ALDH1A1TSHRCLK1
SCHEMBL1891436 0.81 PIK3CA (0.47) PIK3CGADORA2AADORA1NPC1ALDH1A1
SCHEMBL3838017 0.81 NPC1 (0.45) PIK3CGADORA2AADORA1NPC1ALDH1A1
SCHEMBL1884162 0.80 PIK3CA (0.46) PIK3CGADORA2AADORA1NPC1ALDH1A1
SCHEMBL1891561 0.80 PIK3CG (0.64) PIK3CGNPC1ALDH1A1TSHRCLK1
SCHEMBL8236670 0.79 PIK3CA (0.54) NPC1CLK1RAB9APIK3CAPIK3CD
SCHEMBL1885306 0.79 KARS1 (0.48) ADORA2AADORA1RAF1BRAF
SCHEMBL1889414 0.78 CDK2 (0.52) PIK3CGRAF1BRAF
SCHEMBL1889933 0.78 CDK2 (0.43) ADORA2AADORA1
Bromide SCHEMBL1885323 0.78 PIK3CA (0.53) NPC1CLK1RAB9APIK3CAPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157091-B1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2015-06-10 EP disclosed
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8404684-B2 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2013-03-26 US disclosed
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG 2011-05-05 US disclosed
EP-2157091-A1 Inhibitors of phosphatidylinositol 3-kinase Novartis AG (CH) 2010-02-24 EP disclosed
EP-1622897-B1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2009-10-14 EP disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 US disclosed
EP-1622897-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096797-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2004-11-11 WO 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 (3 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-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase PIK3CA, PIP4K2C, PIP4K2B PIK3CG 10/4885ADORA2A 3290/4885ADORA1 2368/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CG 8/4885ADORA2A 3141/4885ADORA1 2247/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CG 8/4885ADORA2A 3141/4885ADORA1 2247/4885

“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.