SCHEMBL2533264

SCHEMBL2533264

COC(=O)c1cc(SC)c2nc(C)nc(N3CCOCC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MTOR P42345 4/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
KDM4E B2RXH2 3/20 0.37
APAF1 O14727 1/20 0.37
TDP2 O95551 1/20 0.37

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
SCHEMBL2537650 0.88 SMN1; SMN2 (0.42) ALDH1A1KMT2ASMN1; SMN2MAPTMTOR
SCHEMBL2533706 0.84 MTOR (0.47) ALDH1A1MTORMAPK1KDM4E
SCHEMBL2530398 0.83 MTOR (0.51) MTORLMNA
SCHEMBL2528866 0.82 PIK3CA (0.51) MTOR
SCHEMBL2535264 0.81 MTOR (0.38) ALDH1A1MTORPDE4APDE4BPDE4C
SCHEMBL2532761 0.81 PIK3CD (0.48)
SCHEMBL2535269 0.81 HDAC1 (0.46) MTOR
SCHEMBL2535795 0.81 MTOR (0.43) KMT2AMEN1RXFP1MTOR
SCHEMBL12220646 0.79 PIK3CA (0.54) MTOR
SCHEMBL13380357 0.79 ALDH1A1 (0.35) ALDH1A1MAPTMTORPDE4APDE4B

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 ALDH1A1 2503/4885KMT2A 2164/4885SMN1; SMN2 486/4885

“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.