SCHEMBL17490709

SCHEMBL17490709

COc1ccnc(N)c1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.50
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CHEK1 O14757 2/20 0.40
CHEK2 O96017 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NNMT P40261 2/20 0.39

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
SCHEMBL32689464 0.86 CA12 (0.53) IKBKBKDM4EL3MBTL1ALDH1A1CA12
SCHEMBL31214504 0.84 IKBKB (0.42) IKBKBKDM4EPOLBTDP1L3MBTL1
SCHEMBL7040741 0.82 IKBKB (0.50) IKBKBKDM4EPOLBCTDSP1TDP1
SCHEMBL7020144 0.82 KDM4E (0.47) IKBKBKDM4EPOLBCTDSP1TDP1
SCHEMBL31208519 0.81 KDM4E (0.46) IKBKBKDM4EPOLBCTDSP1TDP1
SCHEMBL31726010 0.81 KDM4E (0.46) IKBKBKDM4EPOLBCTDSP1TDP1
SCHEMBL16684814 0.79 ALDH1A1 (0.47) KDM4EPOLBALDH1A1GAAHPGD
SCHEMBL4372944 0.77 HTT (0.46) IKBKBKDM4EPOLBCTDSP1TDP1
SCHEMBL28128057 0.76 KDM4E (0.50) KDM4EPOLBTDP1ALDH1A1GLA
SCHEMBL25229271 0.76 MEN1 (0.47) IKBKBKDM4EPOLBCTDSP1TDP1

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-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-20170217971-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) 2017-08-03 US disclosed
US-20170217971-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) 2017-08-03 US disclosed
WO-2016016395-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) 2016-02-04 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-20170217971-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 IKBKB 3706/4885KDM4E 2069/4885POLB 4487/4885
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors GRM2, GRM5, GRM1 IKBKB 3890/4885KDM4E 2194/4885POLB 4338/4885

“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.