SCHEMBL3708244

SCHEMBL3708244

Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCNC2)cn1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.62
PIK3R1 P27986 16/20 0.62
PIK3CD O00329 2/20 0.62
PIK3CB P42338 2/20 0.62
MTOR P42345 6/20 0.58
PIK3CG P48736 2/20 0.50
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
JAK3 P52333 1/20 0.50
HDAC1 Q13547 3/20 0.49
RICTOR Q6R327 2/20 0.46
RPTOR Q8N122 2/20 0.46
MAPKAP1 Q9BPZ7 2/20 0.46
MLST8 Q9BVC4 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
SCHEMBL1570980 0.94 PIK3CA (0.60) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL1568883 0.88 PIK3CA (0.65) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL8062689 0.87 PIK3CA (0.64) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL8071239 0.86 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL1569318 0.85 PIK3CA (0.63) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL8048858 0.84 PIK3CA (0.63) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL14731751 0.82 PIK3CA (0.61) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL8060329 0.82 PIK3CA (0.61) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL1571104 0.82 PIK3CA (0.58) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL1569074 0.82 PIK3CA (0.60) PIK3CAPIK3R1PIK3CDPIK3CBMTOR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140066620-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES VERASTEM, INC. (US) 2014-03-06 US disclosed
US-20140066620-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES VERASTEM, INC. (US) 2014-03-06 US disclosed
US-20140066620-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES VERASTEM, INC. (US) 2014-03-06 US disclosed
US-8609838-B2 Pyrimidine substituted purine derivatives VERASTEM, INC. (US) 2013-12-17 US disclosed
US-8513221-B2 PI3K isoform selective inhibitors Xcovery Holding, LLC (US) 2013-08-20 US disclosed
US-8513221-B2 PI3K isoform selective inhibitors Xcovery Holding, LLC (US) 2013-08-20 US disclosed
US-20130079512-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES Verastem (US) 2013-03-28 US disclosed
US-20130079512-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES Verastem (US) 2013-03-28 US disclosed
US-20130079512-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES Verastem (US) 2013-03-28 US disclosed
EP-2209786-B1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES VERASTEM INC (US) 2013-02-27 EP disclosed
US-8247410-B2 Pyrimidine substituted purine derivatives Verastem (US) 2012-08-21 US disclosed
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY LLC 2011-06-02 US disclosed
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY LLC 2011-06-02 US disclosed
US-20100298319-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES S*BIO PTE LTD. (SG) 2010-11-25 US disclosed
US-20100298319-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES S*BIO PTE LTD. (SG) 2010-11-25 US disclosed
US-20100298319-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES S*BIO PTE LTD. (SG) 2010-11-25 US disclosed
EP-2209786-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES S*BIO Pte Ltd (SG) 2010-07-28 EP disclosed
WO-2010005558-A2 PI3K ISOFORM SELECTIVE INHIBITORS XCOVERY, INC. (US) 2010-01-14 WO disclosed
WO-2009045175-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES S*BIO PTE LTD (SG) 2009-04-09 WO disclosed
WO-2009045175-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES S*BIO PTE LTD (SG) 2009-04-09 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 (4 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-20140066620-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES TYMP, PIK3CA, PNP PIK3CA 2/4885PIK3R1 153/4885PIK3CD 20/4885
US-20100298319-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES TYMP, PIK3CA, PNP PIK3CA 2/4885PIK3R1 153/4885PIK3CD 20/4885
US-20130079512-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES TYMP, PIK3CA, PNP PIK3CA 2/4885PIK3R1 153/4885PIK3CD 20/4885
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS PI4KA, PIK3CA, PIKFYVE PIK3CA 2/4885PIK3R1 79/4885PIK3CD 12/4885

“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.