SCHEMBL1886526

SCHEMBL1886526

CC(=O)Cc1ccnc(N2CCOCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.58
KMO O15229 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
WNT3A P56704 1/20 0.43
MAPK13 O15264 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
KLKB1 P03952 2/20 0.43
AOC3 Q16853 2/20 0.43
ABL1 P00519 2/20 0.43
KLK1 P06870 1/20 0.42

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
SCHEMBL3742630 0.81 PIK3CA (0.57) PIK3CAKMOABL1
SCHEMBL8197483 0.81 PIK3CA (0.59) PIK3CAOPRM1OPRL1SMN1; SMN2
SCHEMBL3126280 0.78 PIK3CA (0.56) PIK3CAKMOKDM4EALDH1A1HPGD
SCHEMBL12639899 0.78 PIK3CA (0.76) PIK3CAKMOKDM4EALDH1A1HPGD
SCHEMBL13069962 0.78 PIK3CA (0.53) PIK3CAALDH1A1OPRM1OPRL1ABL1
SCHEMBL5718308 0.78 PIK3CA (0.54) PIK3CAKMOOPRM1OPRL1ABL1
SCHEMBL2459118 0.78 PIK3CA (0.54) PIK3CAOPRM1OPRL1ABL1SMN1; SMN2
SCHEMBL8358064 0.78 PIK3CA (0.54) PIK3CAKMOOPRM1OPRL1ABL1
SCHEMBL8228263 0.77 LRRK2 (0.56) PIK3CAALDH1A1OPRM1OPRL1MEN1
SCHEMBL10154083 0.77 PIK3CA (0.50) PIK3CAKDM4EALDH1A1HPGDWNT3A

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 PIK3CA 1/4885KMO 2404/4885KDM4E 1826/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CA 1/4885KMO 2705/4885KDM4E 1819/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CA 1/4885KMO 2705/4885KDM4E 1819/4885

“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.