SCHEMBL2997075

SCHEMBL2997075

COc1ccc(Sc2ncc(Sc3nnc[nH]3)nc2C(=O)Nc2ccn(C)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.45
GRM5 P41594 4/20 0.37
GCK P35557 8/20 0.37
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL3008721 0.99 HPGDS (0.45) HPGDSGRM5GCKNPC1RAB9A
SCHEMBL3004042 0.91 NPC1 (0.43) HPGDSGRM5NPC1RAB9AALDH1A1
SCHEMBL2994602 0.91 GRM5 (0.39) HPGDSGRM5GCKNPC1RAB9A
SCHEMBL2994480 0.91 HPGDS (0.43) HPGDSGRM5GCKNPC1RAB9A
SCHEMBL3003372 0.90 GRM5 (0.38) HPGDSGRM5GCKNPC1RAB9A
SCHEMBL3001763 0.90 HPGDS (0.40) HPGDSGRM5GCKNPC1RAB9A
SCHEMBL2994085 0.89 GRM5 (0.38) HPGDSGRM5GCKNPC1RAB9A
SCHEMBL3008822 0.89 GRM5 (0.39) HPGDSGRM5GCKNPC1RAB9A
SCHEMBL3003089 0.88 GCK (0.39) HPGDSGRM5GCKNPC1RAB9A
SCHEMBL3007208 0.88 KCNH2 (0.39) HPGDSGRM5GCKNPC1RAB9A

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 1751/4885GCK 25/4885

“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.