Sugi Predict

Sugi Predict / Compounds / SCHEMBL370338

SCHEMBL370338

SCHEMBL370338

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 9/20 0.50
▸ 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
▸ KCNH2 Q12809 2/20 0.35
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ MAPK8 P45983 2/20 0.31
▸ MAPK9 P45984 2/20 0.31
▸ MAPK10 P53779 2/20 0.31
▸ CDK1 P06493 2/20 0.30
▸ CDK4 P11802 2/20 0.30
▸ CCNB1 P14635 2/20 0.30
▸ CCNA2 P20248 2/20 0.30
▸ CCND1 P24385 2/20 0.30
▸ CDK2 P24941 2/20 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
SCHEMBL366372 0.82 GRM4 (0.53) GRM4GRM8NPC1PKMRAB9A
SCHEMBL368817 0.81 GRM4 (0.63) GRM4GRM8NPC1PKMRAB9A
SCHEMBL369716 0.81 GRM4 (0.63) GRM4GRM8NPC1PKMRAB9A
SCHEMBL368818 0.81 GRM4 (0.63) GRM4GRM8NPC1PKMRAB9A
SCHEMBL370552 0.81 GRM4 (0.45) GRM4GRM8NPC1PKMRAB9A
SCHEMBL369467 0.80 GRM4 (0.62) GRM4GRM8NPC1PKMRAB9A
SCHEMBL367148 0.77 GRM4 (0.65) GRM4GRM8NPC1PKMRAB9A
SCHEMBL360277 0.76 GRM4 (0.64) GRM4GRM8NPC1PKMRAB9A
SCHEMBL370211 0.74 GRM4 (0.67) GRM4GRM8NPC1PKMRAB9A
SCHEMBL370399 0.74 GRM4 (0.61) 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 6 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
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.