SCHEMBL17707922

SCHEMBL17707922

CNc1cc(C)cc(C#N)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.55
▸ NOS2 P35228 2/20 0.55
▸ NOS1 P29475 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ HSD11B1 P28845 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ NUDT1 P36639 3/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ GAA P10253 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CTSK P43235 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
SCHEMBL16389765 0.80 ALDH1A1 (0.36) NOS3NOS2NOS1KDM4EALOX15
SCHEMBL25083748 0.76 NOS3 (0.36) NOS3NOS2ABCB1ABCG2HSD11B1
SCHEMBL28021088 0.75 ABCG2 (0.49) ABCB1ABCG2KDM4ESMN1; SMN2ADORA1
SCHEMBL2614502 0.74 NOS3 (0.44) NOS3NOS2NOS1HSD11B1KDM4E
SCHEMBL9426089 0.74 KDM4E (0.36) NOS3NOS2NOS1KDM4ESMN1; SMN2
SCHEMBL26894290 0.72 HPGD (0.38) NOS3NOS2ABCB1ABCG2KDM4E
SCHEMBL943294 0.72 NOS3 (1.00) NOS3NOS2NOS1KDM4ESMN1; SMN2
SCHEMBL1162976 0.71 KDM4E (0.38) KDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL31703186 0.71 KDM4E (0.38) KDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL8687439 0.71 MEN1 (0.32) NOS3NOS2NOS1KDM4EMAPT

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-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-21 — — US disclosed
EP-3004107-B1 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) 2017-05-10 — — EP disclosed
US-20160115169-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) 2016-04-28 — — US disclosed
US-20160115169-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) 2016-04-28 — — 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 (2 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-20160115169-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 NOS3 3395/4885NOS2 2711/4885NOS1 3337/4885
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 NOS3 3652/4885NOS2 2712/4885NOS1 3610/4885

“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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