SCHEMBL370353

SCHEMBL370353

Cc1ccnc(Nc2nc3c(s2)COC(C(C)C)c2[nH]ncc2-3)n1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 16/20 0.59
GRM8 O00222 1/20 0.45
KCNH2 Q12809 3/20 0.42
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK8 P45983 3/20 0.37
MAPK9 P45984 3/20 0.37
MAPK10 P53779 3/20 0.37

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
SCHEMBL368817 0.88 GRM4 (0.63) GRM4GRM8KCNH2NPC1PKM
SCHEMBL369716 0.88 GRM4 (0.63) GRM4GRM8KCNH2NPC1PKM
SCHEMBL368818 0.88 GRM4 (0.63) GRM4GRM8KCNH2NPC1PKM
SCHEMBL368864 0.85 GRM4 (0.59) GRM4GRM8KCNH2NPC1PKM
SCHEMBL365689 0.84 GRM4 (0.40) GRM4KCNH2MAPK8MAPK9MAPK10
SCHEMBL370863 0.84 GRM4 (0.58) GRM4GRM8KCNH2NPC1PKM
SCHEMBL370110 0.83 GRM4 (0.43) GRM4KCNH2
SCHEMBL370160 0.83 GRM4 (0.39) GRM4KCNH2
SCHEMBL369382 0.82 GRM4 (0.48) GRM4GRM8KCNH2NPC1PKM
SCHEMBL369375 0.82 GRM4 (0.55) GRM4GRM8KCNH2NPC1PKM

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-20130252944-A1 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. 2013-09-26 US claimed
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 claimed
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 claimed
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

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 19/4885KCNH2 1260/4885

“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.