SCHEMBL2533706

SCHEMBL2533706

COC(=O)c1cc(SC)c2nc(-c3ccccc3)nc(N3CCOCC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
PIK3CA P42336 3/20 0.44
PIK3R1 P27986 1/20 0.44
GAA P10253 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL2530398 0.91 MTOR (0.51) MTORPIK3CAPIK3CG
SCHEMBL2528866 0.91 PIK3CA (0.51) MTORPIK3CAPIK3CG
SCHEMBL12220646 0.89 PIK3CA (0.54) MTORPIK3CAPIK3R1PIK3CG
SCHEMBL2535795 0.87 MTOR (0.43) MTORPIK3CAPIK3CG
SCHEMBL2535269 0.86 HDAC1 (0.46) MTORPIK3CAPIK3R1PIK3CG
SCHEMBL2532761 0.86 PIK3CD (0.48)
SCHEMBL2533264 0.84 ALDH1A1 (0.44) MTORKDM4EALDH1A1MAPK1
SCHEMBL2537650 0.83 SMN1; SMN2 (0.42) MTORKDM4EALDH1A1
SCHEMBL2531321 0.81 PIK3CA (0.49) MTORPIK3CAPIK3R1PIK3CG
SCHEMBL2531267 0.81 PIK3CA (0.54) MTORKDM4EALDH1A1MAPK1TRPM8

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 4 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
WO-2010037765-A2 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO S.A. (CH) 2010-04-08 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-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES PIK3CA, PIK3CD, PIK3CG MTOR 42/4885KDM4E 609/4885ALDH1A1 2503/4885

“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.