SCHEMBL15940355

SCHEMBL15940355

Cc1nc(CC(N)=O)sc1-c1csc(NCCC2CCCN2C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.47
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PIK3CA P42336 6/20 0.43
PIK3CB P42338 3/20 0.43
PI4KB Q9UBF8 4/20 0.43
PIK3CD O00329 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PIK3C2B O00750 1/20 0.42
CHRM4 P08173 1/20 0.42
ACKR3 P25106 1/20 0.41

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
SCHEMBL4524864 0.84 PIK3CG (0.64) PIK3CGMAPTKDM4EHTTSMN1; SMN2
SCHEMBL15940389 0.83 PIK3CG (0.58) PIK3CGMAPTKDM4EHTTSMN1; SMN2
SCHEMBL2835239 0.73 PIK3CG (0.64) PIK3CGMAPTKDM4EHTTSMN1; SMN2
SCHEMBL15940233 0.73 PIK3CG (0.69) PIK3CGMAPTKDM4EHTTSMN1; SMN2
SCHEMBL15940392 0.71 MAPT (0.55) PIK3CGMAPTKDM4EHTTSMN1; SMN2
SCHEMBL15940390 0.67 MEN1 (0.53) MAPTKDM4EHTTSMN1; SMN2LMNA
SCHEMBL1913776 0.66 NOS3 (0.58) NOS3NOS1NOS2MAPTKDM4E
SCHEMBL4523767 0.66 PIK3CG (0.83) PIK3CGMAPTKDM4EHTTSMN1; SMN2
SCHEMBL4514767 0.66 PI4KB (0.58) PIK3CGMAPTKDM4EHTTSMN1; SMN2
SCHEMBL6067862 0.65 NOS3 (0.62) NOS3NOS1NOS2MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB PIK3CG 2806/4885NOS3 754/4885NOS1 1026/4885

“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.