SCHEMBL3003089

SCHEMBL3003089

Cn1ccc(NC(=O)c2nc(Sc3nnc[nH]3)cnc2Sc2ccc(S(C)(=O)=O)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.39
GRM5 P41594 3/20 0.37
HPGDS O60760 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 3/20 0.33
ATR Q13535 3/20 0.32
PDE4B Q07343 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3004042 0.90 NPC1 (0.43) GRM5HPGDSNPC1RAB9APDE4B
SCHEMBL3008822 0.90 GRM5 (0.39) GCKGRM5HPGDSNPC1RAB9A
SCHEMBL2994602 0.90 GRM5 (0.39) GCKGRM5HPGDSNPC1RAB9A
SCHEMBL3003372 0.89 GRM5 (0.38) GCKGRM5HPGDSNPC1RAB9A
SCHEMBL2994085 0.89 GRM5 (0.38) GCKGRM5HPGDSNPC1RAB9A
SCHEMBL2997075 0.88 HPGDS (0.45) GCKGRM5HPGDSNPC1RAB9A
SCHEMBL3007208 0.87 KCNH2 (0.39) GCKGRM5HPGDSNPC1RAB9A
SCHEMBL3008721 0.87 HPGDS (0.45) GCKGRM5HPGDSNPC1RAB9A
SCHEMBL3002951 0.87 GCK (0.39) GCKGRM5HPGDSNPC1RAB9A
SCHEMBL3003127 0.87 GRM5 (0.42) GCKGRM5HPGDSNPC1RAB9A

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-20100190980-A1 PYRAZINAMIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-07-29 US claimed
EP-2157090-A1 PYRAZINAMIDE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2010-02-24 EP claimed
US-20100190980-A1 PYRAZINAMIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-07-29 US disclosed
EP-2157090-A1 PYRAZINAMIDE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2010-02-24 EP 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-20100190980-A1 PYRAZINAMIDE COMPOUND KAT8, GK, KCNJ8 GCK 25/4885GRM5 1751/4885HPGDS 4392/4885

“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.