SCHEMBL8062286

SCHEMBL8062286

Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2Cc3ccccc3C2)cn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.59
MTOR P42345 5/20 0.59
PIK3R1 P27986 15/20 0.51
PIK3CD O00329 3/20 0.51
PIK3CB P42338 2/20 0.51
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
PIK3CG P48736 1/20 0.51
JAK3 P52333 1/20 0.51
HDAC1 Q13547 3/20 0.49
RICTOR Q6R327 2/20 0.48
RPTOR Q8N122 2/20 0.48
MAPKAP1 Q9BPZ7 2/20 0.48
MLST8 Q9BVC4 2/20 0.48

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
SCHEMBL8050487 0.93 PIK3CA (0.55) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1568883 0.86 PIK3CA (0.65) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL8062689 0.85 PIK3CA (0.64) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL7953231 0.85 PIK3CA (0.51) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1569318 0.84 PIK3CA (0.63) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL14731790 0.84 PIK3CA (0.44) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL8048858 0.83 PIK3CA (0.63) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1570980 0.83 PIK3CA (0.60) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL3708244 0.81 PIK3CA (0.62) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL14731751 0.81 PIK3CA (0.61) PIK3CAMTORPIK3R1PIK3CDPIK3CB

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 10 patents. 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-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-8247410-B2 Pyrimidine substituted purine derivatives Verastem (US) 2012-08-21 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
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 (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-20140066620-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES TYMP, PIK3CA, PNP PIK3CA 2/4885MTOR 7/4885PIK3R1 153/4885
US-20100298319-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES TYMP, PIK3CA, PNP PIK3CA 2/4885MTOR 7/4885PIK3R1 153/4885
US-20130079512-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES TYMP, PIK3CA, PNP PIK3CA 2/4885MTOR 7/4885PIK3R1 153/4885

“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.