SCHEMBL2535618

SCHEMBL2535618

OCc1ccc2nc(-n3ccnc3)nc(N3CCOCC3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.48
PIK3CA P42336 10/20 0.43
PIK3CG P48736 4/20 0.43
MTOR P42345 5/20 0.41
PIK3R1 P27986 8/20 0.41
CD38 P28907 6/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2532696 0.87 CD38 (0.39) PIK3CDPIK3CAPIK3CGPIK3R1CD38
SCHEMBL2531943 0.86 TSHR (0.37) PIK3CDPIK3CAPIK3CGMTORPIK3R1
SCHEMBL2528796 0.86 PIK3CA (0.37) PIK3CDPIK3CAPIK3CGMTORPIK3R1
SCHEMBL2535022 0.85 KDM4E (0.40) PIK3CDPIK3CAPIK3CGPIK3R1CD38
SCHEMBL12220520 0.83 CD38 (0.35) PIK3CDPIK3CAPIK3CGPIK3R1CD38
SCHEMBL2533298 0.83 PIK3CA (0.52) PIK3CDPIK3CAPIK3CGMTORPIK3R1
SCHEMBL2531152 0.83 PIK3CA (0.38) PIK3CDPIK3CAPIK3CGMTORPIK3R1
SCHEMBL2533306 0.83 PIK3CA (0.42) PIK3CDPIK3CAPIK3CGMTORPIK3R1
SCHEMBL2531946 0.82 PIK3CA (0.37) PIK3CDPIK3CAPIK3CGMTORPIK3R1
SCHEMBL2536719 0.81 PIK3CA (0.57) PIK3CDPIK3CAPIK3CGMTORPIK3R1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO SA (CH) 2011-10-20 US disclosed
US-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO SA (CH) 2011-10-20 US disclosed
US-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO SA (CH) 2011-10-20 US 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-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES PIK3CA, PIK3CD, PIK3CG PIK3CD 2/4885PIK3CA 1/4885PIK3CG 3/4885

“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.