SCHEMBL19398230

SCHEMBL19398230

CC(C)(C)OC(=O)Nc1ccc(/C=N/O)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.45
▸ MIF P14174 1/20 0.44
▸ NPC1 O15118 4/20 0.43
▸ RECQL P46063 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ MAPKAPK2 P49137 1/20 0.38
▸ BCL2 P10415 1/20 0.38
▸ CYP17A1 P05093 1/20 0.37
▸ ATR Q13535 1/20 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
SCHEMBL479056 0.85 NAMPT (0.43) RAB9AMIFNPC1RECQLSMN1; SMN2
SCHEMBL28849745 0.83 NAMPT (0.42) RAB9AMIFNPC1RECQLSMN1; SMN2
SCHEMBL29636747 0.82 HDAC1 (0.41) RAB9AMIFNPC1RECQLSMN1; SMN2
SCHEMBL28579578 0.82 HDAC1 (0.41) RAB9AMIFNPC1RECQLSMN1; SMN2
SCHEMBL21375791 0.82 HDAC1 (0.41) RAB9AMIFNPC1RECQLSMN1; SMN2
SCHEMBL12143915 0.80 HDAC1 (0.40) RAB9AMIFNPC1RECQLSMN1; SMN2
SCHEMBL31341175 0.79 MIF (0.52) RAB9AMIFNPC1RECQLSMN1; SMN2
SCHEMBL2744305 0.79 MIF (0.52) RAB9AMIFNPC1RECQLSMN1; SMN2
SCHEMBL7372333 0.79 MIF (0.52) RAB9AMIFNPC1RECQLSMN1; SMN2
SCHEMBL31737264 0.77 GSK3B (0.45) NAMPTGRIN2BHDAC1GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200261450-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 — — US disclosed
US-10668065-B2 6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one compounds and their use as negative allosteric modulators of mGluR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2020-06-02 — — US disclosed
US-20190160061-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-05-30 — — US disclosed
US-10220032-B2 6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one compounds and their use as negative allosteric modulators of mGluR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2019-03-05 — — US disclosed
US-20170273976-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-28 — — 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 (5 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-10220032-B2 6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one compounds and their use as negative allosteric modulators of mGluR2 receptors GRM2, GRM5, GRM1 RAB9A 1846/4885MIF 3825/4885NPC1 1768/4885
US-20170273976-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 RAB9A 1924/4885MIF 3936/4885NPC1 1715/4885
US-20190160061-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 RAB9A 1924/4885MIF 3936/4885NPC1 1715/4885
US-20200261450-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 RAB9A 1924/4885MIF 3936/4885NPC1 1715/4885
US-10668065-B2 6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one compounds and their use as negative allosteric modulators of mGluR2 receptors GRM2, GRM5, GRM1 RAB9A 1781/4885MIF 3681/4885NPC1 1419/4885

“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.

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