SCHEMBL2994085

SCHEMBL2994085

Cn1ccc(NC(=O)c2nc(Sc3nnc[nH]3)cnc2Sc2ccc(F)cc2)n1.[KH]

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.38
GCK P35557 4/20 0.36
HPGDS O60760 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAPK7 Q13164 1/20 0.34
PDE4B Q07343 2/20 0.32
PDE4D Q08499 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
SCHEMBL3003372 0.99 GRM5 (0.38) GRM5GCKHPGDSNPC1RAB9A
SCHEMBL3004042 0.92 NPC1 (0.43) GRM5HPGDSNPC1RAB9AMAPK7
SCHEMBL2994602 0.92 GRM5 (0.39) GRM5GCKHPGDSNPC1RAB9A
SCHEMBL3007208 0.90 KCNH2 (0.39) GRM5GCKHPGDSNPC1RAB9A
SCHEMBL3008721 0.90 HPGDS (0.45) GRM5GCKHPGDSNPC1RAB9A
SCHEMBL3008822 0.90 GRM5 (0.39) GRM5GCKHPGDSNPC1RAB9A
SCHEMBL2997075 0.89 HPGDS (0.45) GRM5GCKHPGDSNPC1RAB9A
SCHEMBL3003089 0.89 GCK (0.39) GRM5GCKHPGDSNPC1RAB9A
SCHEMBL3003127 0.88 GRM5 (0.42) GRM5GCKHPGDSNPC1RAB9A
SCHEMBL3009393 0.88 GCK (0.34) GCKNPC1RAB9A

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 2 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 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 25/4885HPGDS 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.