SCHEMBL17478024

SCHEMBL17478024

CNc1cc(C#C[Si](C)(C)C)ccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.34
AAK1 Q2M2I8 1/20 0.32
CYP1A2 P05177 4/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2C19 P33261 3/20 0.31
CYP2D6 P10635 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
MTOR P42345 1/20 0.31
MAPT P10636 1/20 0.31
GABRA1 P14867 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRA6 Q16445 2/20 0.30
GABRA4 P48169 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
SCHEMBL15051042 0.78 L3MBTL1 (0.47) TYK2AAK1
SCHEMBL25229723 0.78 RAB9A (0.40) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL4630923 0.77 FFAR1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30527105 0.77 FFAR1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19381285 0.76 MTOR (0.35) TYK2CYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL25209850 0.76 LMNA (0.45) CYP1A2CYP3A4CYP2C19CYP2C9MAPT
SCHEMBL25200094 0.76 FFAR1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19401536 0.76 IDO1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3645150 0.76 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4034902 0.76 NOS3 (0.45) AAK1GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001373-B 6, 7-dihydropyrazolo [1,5-a ] pyrazin-4 (5H) -one compounds and their use as negative allosteric modulators of MGLUR2 receptors 詹森药业有限公司 2020-01-07 CN disclosed
EP-3174884-B1 6,7-DIHYDROPYRAZOLO[1,5- ]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLU2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-09-26 EP disclosed
US-10017514-B2 6,7-dihydropyrazolo[1,5-α]pyrazin-4(5H)-one compounds and their use as negative allosteric modulators of mGluR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 US disclosed
US-10017514-B2 6,7-dihydropyrazolo[1,5-α]pyrazin-4(5H)-one compounds and their use as negative allosteric modulators of mGluR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 US disclosed
US-10017514-B2 6,7-dihydropyrazolo[1,5-α]pyrazin-4(5H)-one compounds and their use as negative allosteric modulators of mGluR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 US disclosed
US-20170267682-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) 2017-09-21 US disclosed
US-20170267682-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) 2017-09-21 US disclosed
US-20170267682-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) 2017-09-21 US disclosed
EP-3174884-A1 6,7-DIHYDROPYRAZOLO[1,5- ]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceutica, N.V. (BE) 2017-06-07 EP disclosed
WO-2016016383-A1 6,7-DIHYDROPYRAZOLO[1,5-α]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-04 WO disclosed
WO-2016016383-A1 6,7-DIHYDROPYRAZOLO[1,5-α]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-04 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 (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-10017514-B2 6,7-dihydropyrazolo[1,5-α]pyrazin-4(5H)-one compounds and their use as negative allosteric modulators of mGluR2 receptors GRM2, GRM5, GRM1 TYK2 1854/4885AAK1 769/4885CYP1A2 2844/4885
US-20170267682-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 TYK2 1804/4885AAK1 780/4885CYP1A2 2901/4885

“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.