SCHEMBL3014587

SCHEMBL3014587

COc1ccc(Sc2ncc(Sc3nnc[nH]3)nc2C(=O)Nc2ncc(C)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.43
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MITF O75030 1/20 0.41
TSHR P16473 2/20 0.38
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
PKM P14618 1/20 0.37
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL2994508 0.91 NPC1 (0.39) GCKALDH1A1NPC1RAB9ALMNA
SCHEMBL3012154 0.90 GRM5 (0.43) GCKALDH1A1NPC1RAB9ALMNA
SCHEMBL2210683 0.88 GCK (0.55) GCKALDH1A1NPC1RAB9ALMNA
SCHEMBL3003101 0.86 GRM5 (0.43) GCKALDH1A1NPC1RAB9ALMNA
SCHEMBL3010505 0.82 POLB (0.42) GCKALDH1A1NPC1RAB9ALMNA
SCHEMBL2997075 0.81 HPGDS (0.45) GCKALDH1A1NPC1RAB9AKMT2A
SCHEMBL3008721 0.80 HPGDS (0.45) GCKALDH1A1NPC1RAB9AKMT2A
SCHEMBL3007341 0.80 GCK (0.40) GCKNPC1RAB9AKMT2AMAPT
SCHEMBL2211361 0.78 GCK (0.59) GCK
SCHEMBL2211373 0.78 GCK (0.53) GCKALDH1A1NPC1RAB9ASMN1; SMN2

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 25/4885ALDH1A1 2753/4885NPC1 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.