SCHEMBL1883476

SCHEMBL1883476

Cc1nc(N)sc1-c1ccnc(N2CCOCC2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.66
CDK4 P11802 8/20 0.66
CDK9 P50750 6/20 0.66
AURKA O14965 5/20 0.66
AURKB Q96GD4 5/20 0.66
CCNT1 O60563 3/20 0.66
CCNE1 P24864 3/20 0.66
CDK1 P06493 2/20 0.66
FLT3 P36888 2/20 0.66
CDC7 O00311 1/20 0.66
PLK4 O00444 1/20 0.66
CIT O14578 1/20 0.66
CHEK1 O14757 1/20 0.66
GAK O14976 1/20 0.66
EPHB6 O15197 1/20 0.66
PDPK1 O15530 1/20 0.66
DAPK3 O43293 1/20 0.66
RIPK2 O43353 1/20 0.66
BUB1 O43683 1/20 0.66
JAK2 O60674 1/20 0.66

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
SCHEMBL29011645 0.88 CDK2 (0.52) CDK2CDK4CDK9AURKAAURKB
SCHEMBL30476463 0.88 CDK2 (0.52) CDK2CDK4CDK9AURKAAURKB
SCHEMBL3152343 0.82 PIK3CA (0.48) CDK2CDK4CDK9AURKAAURKB
Cyc-116 SCHEMBL2074998 0.80 CDK2 (1.00) CDK2CDK4CDK9AURKAAURKB
Cyc-116 SCHEMBL29366353 0.80 CDK2 (1.00) CDK2CDK4CDK9AURKAAURKB
SCHEMBL1891561 0.78 PIK3CG (0.64) CDK2CDK4CDK9AURKAAURKB
SCHEMBL20550109 0.78 PIK3CA (0.46) CDK2CDK4CDK9AURKAAURKB
SCHEMBL8236670 0.77 PIK3CA (0.54) CDK2CDK4CDK9AURKAAURKB
SCHEMBL4176578 0.76 CDK2 (0.77) CDK2CDK4CDK9AURKAAURKB
Bromide SCHEMBL1885323 0.76 PIK3CA (0.53) CDK2CDK4CDK9AURKAAURKB

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 CDK2 131/4885CDK4 454/4885CDK9 327/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C CDK2 133/4885CDK4 443/4885CDK9 320/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C CDK2 133/4885CDK4 443/4885CDK9 320/4885

“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.