SCHEMBL3001763

SCHEMBL3001763

COc1ccc(Sc2ncc(Sc3nnc[nH]3)nc2C(=O)Nc2ccn(C)n2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
GRM5 P41594 3/20 0.38
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
GCK P35557 4/20 0.31
NOX1 Q9Y5S8 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHEK2 O96017 1/20 0.31
MAPK7 Q13164 1/20 0.31
ENPP1 P22413 1/20 0.31

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
SCHEMBL2997075 0.90 HPGDS (0.45) HPGDSGRM5NPC1RAB9AGCK
SCHEMBL3008721 0.89 HPGDS (0.45) HPGDSGRM5NPC1RAB9AGCK
SCHEMBL2994480 0.88 HPGDS (0.43) HPGDSGRM5NPC1RAB9AGCK
SCHEMBL2994602 0.87 GRM5 (0.39) HPGDSGRM5NPC1RAB9AGCK
SCHEMBL3003372 0.86 GRM5 (0.38) HPGDSGRM5NPC1RAB9AGCK
SCHEMBL3003127 0.85 GRM5 (0.42) HPGDSGRM5NPC1RAB9AGCK
SCHEMBL2994085 0.85 GRM5 (0.38) HPGDSGRM5NPC1RAB9AGCK
SCHEMBL3008822 0.85 GRM5 (0.39) HPGDSGRM5NPC1RAB9AGCK
Hydrochloric Acid SCHEMBL3002290 0.85 GRM5 (0.41) HPGDSGRM5NPC1RAB9AGCK
SCHEMBL3003089 0.84 GCK (0.39) HPGDSGRM5NPC1RAB9AGCK

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 HPGDS 4392/4885GRM5 1751/4885NPC1 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.