SCHEMBL3003127

SCHEMBL3003127

Cc1ccc(Sc2ncc(Sc3nnc[nH]3)nc2C(=O)Nc2ccn(C)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.42
GCK P35557 2/20 0.39
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
HPGDS O60760 1/20 0.35
PDE4B Q07343 3/20 0.33
KCNH2 Q12809 1/20 0.31
PDE4D Q08499 2/20 0.31
PDE10A Q9Y233 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK7 Q13164 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
Hydrochloric Acid SCHEMBL3002290 0.99 GRM5 (0.41) GRM5GCKNPC1RAB9AHPGDS
SCHEMBL3004042 0.92 NPC1 (0.43) GRM5NPC1RAB9AHPGDSPDE4B
SCHEMBL2994602 0.90 GRM5 (0.39) GRM5GCKNPC1RAB9AHPGDS
SCHEMBL3003372 0.89 GRM5 (0.38) GRM5GCKNPC1RAB9AHPGDS
SCHEMBL2663248 0.88 GCK (0.52) GRM5GCKNPC1RAB9AHPGDS
SCHEMBL2994085 0.88 GRM5 (0.38) GRM5GCKNPC1RAB9AHPGDS
SCHEMBL3008822 0.88 GRM5 (0.39) GRM5GCKNPC1RAB9AHPGDS
SCHEMBL2997075 0.88 HPGDS (0.45) GRM5GCKNPC1RAB9AHPGDS
SCHEMBL3008721 0.87 HPGDS (0.45) GRM5GCKNPC1RAB9AHPGDS
SCHEMBL3003089 0.87 GCK (0.39) GRM5GCKNPC1RAB9AHPGDS

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 GRM5 1751/4885GCK 25/4885NPC1 2169/4885

“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.