SCHEMBL1884162

SCHEMBL1884162

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.46
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CLK1 P49759 1/20 0.44
RAB9A P51151 1/20 0.44
PIK3CD O00329 8/20 0.41
PIK3CG P48736 7/20 0.41
PIK3CB P42338 5/20 0.41
ABL1 P00519 1/20 0.41
CSNK1D P48730 1/20 0.41
PI4KB Q9UBF8 2/20 0.40
DYRK3 O43781 1/20 0.40
MAP4K4 O95819 1/20 0.40
CLK2 P49760 1/20 0.40
DYRK1A Q13627 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
RAF1 P04049 4/20 0.40
BRAF P15056 4/20 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
SCHEMBL1891436 0.95 PIK3CA (0.47) PIK3CANPC1ALDH1A1TSHRCLK1
SCHEMBL3838017 0.94 NPC1 (0.45) PIK3CANPC1ALDH1A1TSHRCLK1
SCHEMBL12991910 0.80 PIK3CG (0.50) PIK3CANPC1ALDH1A1RAB9APIK3CD
SCHEMBL1888686 0.80 PIK3CG (0.60) PIK3CANPC1ALDH1A1TSHRCLK1
SCHEMBL1883394 0.74 PIK3CG (0.54) PIK3CAALDH1A1PIK3CDPIK3CGPIK3CB
SCHEMBL5048755 0.74 NPC1 (0.51) PIK3CANPC1ALDH1A1TSHRCLK1
SCHEMBL1892392 0.73 PIK3CA (0.49) PIK3CANPC1ALDH1A1RAB9APIK3CD
SCHEMBL48730 0.73 PIK3CD (0.74) PIK3CAALDH1A1CLK1PIK3CDPIK3CG
SCHEMBL2832443 0.72 PIK3CG (0.48) PIK3CDPIK3CGPI4KB
SCHEMBL49235 0.71 PIK3CD (0.65) PIK3CAALDH1A1CLK1PIK3CDPIK3CG

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 7 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-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 (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-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CA 1/4885NPC1 1578/4885ALDH1A1 4151/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CA 1/4885NPC1 1578/4885ALDH1A1 4151/4885

“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.