SCHEMBL2535264

SCHEMBL2535264

COC(=O)c1cc(SC)c2nc(-n3ccnc3)nc(N3CCOCC3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.38
ALDH1A1 P00352 1/20 0.37
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE11A Q9HCR9 1/20 0.35
HTT P42858 1/20 0.34
CD38 P28907 2/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
CHEK1 O14757 1/20 0.33
ATR Q13535 1/20 0.33
PDCD1 Q15116 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL2537638 0.88 ALDH1A1 (0.38) MTORALDH1A1RAF1BRAFHTT
SCHEMBL2537279 0.87 PIK3CA (0.43) MTORALDH1A1RAF1BRAFHTT
SCHEMBL2537603 0.85 PIK3CA (0.44) PIK3CA
SCHEMBL2530623 0.85 PIK3CA (0.42) MTORALDH1A1RAF1BRAFHTT
SCHEMBL2531142 0.84 HTR1B (0.42) MTORALDH1A1RAF1BRAFPIK3CA
SCHEMBL2532730 0.82 PIK3CA (0.52) CD38PIK3CA
SCHEMBL2533264 0.81 ALDH1A1 (0.44) MTORALDH1A1PDE4APDE4BPDE4C
SCHEMBL12220438 0.81 ALDH1A1 (0.37) MTORALDH1A1RAF1BRAFHTT
SCHEMBL2536578 0.81 CD38 (0.41) MTORALDH1A1HTTCD38PIK3CA
SCHEMBL2532352 0.81 PIK3CA (0.53) CD38PIK3CA

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 MTOR 42/4885ALDH1A1 2503/4885RAF1 141/4885

“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.