SCHEMBL3654994

SCHEMBL3654994

CCC(C)n1c(C)nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.81
PIK3R1 P27986 12/20 0.81
PIK3CD O00329 6/20 0.81
MTOR P42345 5/20 0.81
PIK3CB P42338 2/20 0.81
PIK3CG P48736 2/20 0.81
JAK2 O60674 1/20 0.81
JAK1 P23458 1/20 0.81
JAK3 P52333 1/20 0.81
HDAC1 Q13547 3/20 0.46
MAP3K12 Q12852 1/20 0.44
PIK3C2B O00750 1/20 0.44

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
SCHEMBL8060341 0.92 PIK3CA (0.67) PIK3CAPIK3R1PIK3CDMTORPIK3CB
Vs-5584 SCHEMBL539098 0.89 PIK3CA (1.00) PIK3CAPIK3R1PIK3CDMTORPIK3CB
Vs-5584 SCHEMBL29376859 0.89 PIK3CA (1.00) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL14731779 0.89 PIK3CA (0.67) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL3653208 0.89 PIK3CA (0.67) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL7902199 0.88 PIK3CA (0.65) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL7895959 0.87 PIK3CA (0.64) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL7894109 0.87 PIK3CA (0.64) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL7901340 0.87 PIK3CA (0.64) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL3716913 0.87 PIK3CA (0.64) PIK3CAPIK3R1PIK3CDMTORPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121332-A1 PYRIMIDINE SUBSTITUTED PURINE COMPOUNDS AS KINASE (S) INHIBITORS CHEN DIZHONG (SG) 2017-05-04 US disclosed
US-20170121332-A1 PYRIMIDINE SUBSTITUTED PURINE COMPOUNDS AS KINASE (S) INHIBITORS CHEN DIZHONG (SG) 2017-05-04 US disclosed
US-20160207927-A1 PYRIMIDINE SUBSTITUTED PURINE COMPOUNDS AS KINASE (S) INHIBITORS VERASTEM INC (US) 2016-07-21 US disclosed
US-20160207927-A1 PYRIMIDINE SUBSTITUTED PURINE COMPOUNDS AS KINASE (S) INHIBITORS VERASTEM INC (US) 2016-07-21 US disclosed
US-9138437-B2 Pyrimidine substituted purine compounds as kinase (S) inhibitors VERASTEM, INC. (US) 2015-09-22 US disclosed
US-9138437-B2 Pyrimidine substituted purine compounds as kinase (S) inhibitors VERASTEM, INC. (US) 2015-09-22 US disclosed
US-20150105382-A1 PYRIMIDINE SUBSTITUTED PURINE COMPOUNDS AS KINASE (S) INHIBITORS VERASTEM, INC. (US) 2015-04-16 US disclosed
US-20150105382-A1 PYRIMIDINE SUBSTITUTED PURINE COMPOUNDS AS KINASE (S) INHIBITORS VERASTEM, INC. (US) 2015-04-16 US disclosed
US-8754080-B2 Pyrimidine substituted purine compounds as kinase (S) inhibitors VERASTEM, INC. (US) 2014-06-17 US disclosed
US-8754080-B2 Pyrimidine substituted purine compounds as kinase (S) inhibitors VERASTEM, INC. (US) 2014-06-17 US disclosed
US-8247410-B2 Pyrimidine substituted purine derivatives Verastem (US) 2012-08-21 US disclosed
US-20120142683-A1 PYRIMIDINE SUBSTITUTED PURINE COMPOUNDS AS KINASE (S) INHIBITORS S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
US-20120142683-A1 PYRIMIDINE SUBSTITUTED PURINE COMPOUNDS AS KINASE (S) INHIBITORS S*BIO PTE LTD. (SG) 2012-06-07 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
WO-2010114484-A1 PYRIMIDINE SUBSTITUTED PURINE COMPOUNDS AS KINASE (S) INHIBITORS S*BIO PTE LTD (SG) 2010-10-07 WO disclosed
EP-2209786-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES S*BIO Pte Ltd (SG) 2010-07-28 EP 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 (5 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-20100298319-A1 PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES TYMP, PIK3CA, PNP PIK3CA 2/4885PIK3R1 153/4885PIK3CD 20/4885
US-20160207927-A1 PYRIMIDINE SUBSTITUTED PURINE COMPOUNDS AS KINASE (S) INHIBITORS DCK, CMPK1, PNP PIK3CA 193/4885PIK3R1 909/4885PIK3CD 337/4885
US-20170121332-A1 PYRIMIDINE SUBSTITUTED PURINE COMPOUNDS AS KINASE (S) INHIBITORS DCK, CMPK1, PNP PIK3CA 193/4885PIK3R1 909/4885PIK3CD 337/4885
US-20150105382-A1 PYRIMIDINE SUBSTITUTED PURINE COMPOUNDS AS KINASE (S) INHIBITORS DCK, CMPK1, PNP PIK3CA 193/4885PIK3R1 909/4885PIK3CD 337/4885
US-20120142683-A1 PYRIMIDINE SUBSTITUTED PURINE COMPOUNDS AS KINASE (S) INHIBITORS DCK, CMPK1, PNP PIK3CA 159/4885PIK3R1 824/4885PIK3CD 302/4885

“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.