SCHEMBL17490785

SCHEMBL17490785

Cc1cc(C#N)cc(CF)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.38
KDM4E B2RXH2 1/20 0.35
RECQL P46063 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1425076 0.82 GRM5 (0.39) GRM5KDM4ERECQLALDH1A1TSHR
SCHEMBL1425100 0.81 GRM5 (0.38) GRM5KDM4ERECQLALDH1A1TSHR
SCHEMBL18506604 0.81 KDM4E (0.39) GRM5KDM4ERECQLALDH1A1TSHR
SCHEMBL18517735 0.79 CTSK (0.47)
SCHEMBL1179216 0.79 KDM4E (0.45) GRM5KDM4ERECQLALDH1A1TSHR
SCHEMBL18489392 0.77 GRM5 (0.36) GRM5KDM4ERECQLALDH1A1TSHR
SCHEMBL17490816 0.73 NOS2 (0.44)
SCHEMBL6797990 0.72 KDM4E (0.39) GRM5KDM4EALDH1A1MEN1KMT2A
SCHEMBL16976904 0.71 KDM4E (0.39) GRM5KDM4EMEN1KMT2A
SCHEMBL3511291 0.71 KDM4E (0.39) GRM5KDM4EALDH1A1TSHRMEN1

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 GRM5 2/4885KDM4E 2069/4885RECQL 3973/4885
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors GRM2, GRM5, GRM1 GRM5 2/4885KDM4E 2194/4885RECQL 3751/4885

“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.