SCHEMBL2537650

SCHEMBL2537650

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 3/20 0.41
PDE4B Q07343 2/20 0.38
MTOR P42345 7/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE11A Q9HCR9 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HDAC1 Q13547 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2533264 0.88 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1PDE4BMTORPDE4A
SCHEMBL2534706 0.87 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4EHDAC1MAPT
SCHEMBL2533706 0.83 MTOR (0.47) ALDH1A1MTORKDM4E
SCHEMBL2530398 0.82 MTOR (0.51) MTOR
SCHEMBL2532702 0.82 PIK3CA (0.43) SMN1; SMN2ALDH1A1MTORKDM4EHDAC1
SCHEMBL2528866 0.81 PIK3CA (0.51) MTORHDAC1
SCHEMBL2532761 0.81 PIK3CD (0.48)
SCHEMBL2535269 0.81 HDAC1 (0.46) MTORHDAC1
SCHEMBL2535264 0.81 MTOR (0.38) ALDH1A1PDE4BMTORPDE4APDE4C
SCHEMBL2535795 0.80 MTOR (0.43) MTORKMT2A

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 SMN1; SMN2 486/4885ALDH1A1 2503/4885PDE4B 292/4885

“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.