SCHEMBL855692

SCHEMBL855692

CNc1ncc(-c2cc(N3CCOCC3)nc(Nc3ccnc4c(C(F)(F)F)cccc34)n2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
CSNK2A1 P68400 1/20 0.52
STK3 Q13188 1/20 0.52
HIPK4 Q8NE63 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
PIK3R1 P27986 2/20 0.43
MTOR P42345 3/20 0.42
SMG1 Q96Q15 2/20 0.42
PIK3CA P42336 9/20 0.41
SYK P43405 1/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
PIK3R2 O00459 1/20 0.41
ATR Q13535 1/20 0.40
ATRIP Q8WXE1 1/20 0.40
AKT1 P31749 1/20 0.40
PIK3CG P48736 3/20 0.39
PIK3CB P42338 1/20 0.39

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
SCHEMBL2674742 0.92 CLK2 (0.52) CLK2GSK3AGSK3BCSNK2A1STK3
SCHEMBL881114 0.85 PIK3R1 (0.46) PIK3R1MTORSMG1PIK3CASYK
SCHEMBL14468924 0.77 CLK2 (0.51) CLK2GSK3AGSK3BCSNK2A1STK3
SCHEMBL12091891 0.77 PIK3CA (0.58) CLK2GSK3AGSK3BCSNK2A1STK3
SCHEMBL2675087 0.76 PIK3CA (0.53) PIK3R1MTORSMG1PIK3CAAKT1
SCHEMBL856429 0.75 CLK2 (0.48) CLK2GSK3AGSK3BCSNK2A1STK3
SCHEMBL10327648 0.74 PIK3CA (0.55) CLK2GSK3AGSK3BCSNK2A1STK3
SCHEMBL881139 0.70 AIMP2 (0.51) MTORPIK3CA
SCHEMBL857404 0.69 PIK3CA (0.52) PIK3R1MTORPIK3CAAKT1
SCHEMBL881134 0.69 PIK3CA (0.47) CLK4PIK3CAPIK3CDCDK1

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
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 EP disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 EP disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
WO-2008098058-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2008-08-14 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 (1 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-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KA, PI4KB, PI4K2A CLK2 319/4885GSK3A 196/4885GSK3B 233/4885

“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.