SCHEMBL1891561

SCHEMBL1891561

CC(=O)Nc1nc(C)c(-c2ccnc(N3CCOCC3)n2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.64
CDK2 P24941 9/20 0.52
CDK4 P11802 7/20 0.52
CDK9 P50750 6/20 0.52
AURKA O14965 5/20 0.52
AURKB Q96GD4 5/20 0.52
CDK1 P06493 4/20 0.52
CCNA2 P20248 4/20 0.51
CCNT1 O60563 3/20 0.51
ACACB O00763 1/20 0.49
PIK3CA P42336 2/20 0.48
CDK7 P50613 2/20 0.47
CCNB1 P14635 1/20 0.47
CCNH P51946 1/20 0.47
CDK6 Q00534 3/20 0.47
CCND1 P24385 2/20 0.47
CCND3 P30281 2/20 0.47
WEE1 P30291 2/20 0.46
ALK Q9UM73 1/20 0.46
CLK1 P49759 2/20 0.46

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
SCHEMBL1885038 0.85 CDK2 (0.49) PIK3CGCDK2CDK4CDK9AURKA
SCHEMBL3152343 0.81 PIK3CA (0.48) PIK3CGCDK2CDK4CDK9AURKA
SCHEMBL1888686 0.80 PIK3CG (0.60) PIK3CGPIK3CACLK1NPC1ALDH1A1
SCHEMBL1621179 0.79 PIK3CA (0.72) PIK3CAAKT1
SCHEMBL1883476 0.78 CDK2 (0.66) CDK2CDK4CDK9AURKAAURKB
SCHEMBL4519152 0.78 PIK3CG (1.00) PIK3CGPIK3CAALDH1A1
SCHEMBL1892291 0.78 CDK2 (0.43) PIK3CGCDK2CDK4CDK9AURKA
SCHEMBL1889193 0.78 PIK3CG (0.58) PIK3CGPIK3CANPC1ALDH1A1TSHR
SCHEMBL12002618 0.77 PIK3CG (1.00) PIK3CGPIK3CACLK1NPC1ALDH1A1
SCHEMBL1890923 0.77 PIK3CG (0.60) PIK3CGCDK2CDK4CDK9AURKA

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 10/4885CDK2 131/4885CDK4 454/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CG 8/4885CDK2 133/4885CDK4 443/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CG 8/4885CDK2 133/4885CDK4 443/4885

“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.