SCHEMBL2532702

SCHEMBL2532702

COC(=O)c1cc(S(C)(=O)=O)c2nc(Cl)nc(N3CCOCC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
PLA2G1B P04054 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PLCG1 P19174 1/20 0.36
GALK1 P51570 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
PDIA6 Q15084 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
HDAC1 Q13547 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
SCHEMBL2534706 0.86 SMN1; SMN2 (0.46) PIK3CASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2537650 0.82 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1KDM4EKMT2AHDAC1
SCHEMBL2530623 0.81 PIK3CA (0.42) PIK3CAALDH1A1MTORHTTUBE2N
SCHEMBL593003 0.75 PIK3CB (0.48) PIK3CASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL1165276 0.74 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL245755 0.71 MAPT (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL7930954 0.71 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1RAB9AKDM4EMAPT
SCHEMBL2533264 0.70 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL26079031 0.70 PIK3CA (0.60) PIK3CASMN1; SMN2ALDH1A1KDM4EMTOR
SCHEMBL2530884 0.69 MAPK1 (0.46) PIK3CASMN1; SMN2ALDH1A1KDM4EMAPT

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 PIK3CA 1/4885SMN1; SMN2 486/4885ALDH1A1 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.