SCHEMBL370552

SCHEMBL370552

Cc1ccnc(Nc2nc3c(s2)C(C)(C)OC(C)c2n[nH]cc2-3)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.45
GRM8 O00222 1/20 0.45
NPC1 O15118 2/20 0.39
PKM P14618 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 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
SCHEMBL370338 0.81 GRM4 (0.50) GRM4GRM8NPC1PKMRAB9A
SCHEMBL15261257 0.80 GRM4 (0.48) GRM4GRM8NPC1PKMRAB9A
SCHEMBL369350 0.77 GRM4 (0.34) GRM4GRM8NPC1PKMRAB9A
SCHEMBL370131 0.74 GRM4 (0.54) GRM4GRM8NPC1PKMRAB9A
SCHEMBL369382 0.74 GRM4 (0.48) GRM4GRM8NPC1PKMRAB9A
SCHEMBL370787 0.73 GRM4 (0.52) GRM4GRM8NPC1PKMRAB9A
SCHEMBL15260703 0.72 GRM4 (0.53) GRM4GRM8NPC1PKMRAB9A
SCHEMBL15260785 0.72 GRM4 (0.48) GRM4GRM8NPC1PKMRAB9A
SCHEMBL370435 0.71 GRM4 (0.52) GRM4GRM8NPC1PKMRAB9A
SCHEMBL15260640 0.71 GRM4 (0.48) GRM4GRM8NPC1PKMRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252944-A1 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. 2013-09-26 US disclosed
EP-2593277-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2013-05-22 EP disclosed
WO-2012009000-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 WO 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-20130252944-A1 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 GRM4 1/4885GRM8 19/4885NPC1 1787/4885

“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.