SCHEMBL17477208

SCHEMBL17477208

OCc1nc(Cl)ccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.37
KIF11 P52732 1/20 0.35
HTT P42858 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ADRB2 P07550 1/20 0.34
XPO1 O14980 5/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GRM2 Q14416 3/20 0.33
P2RX7 Q99572 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
KCNE1 P15382 1/20 0.32
KCNQ1 P51787 1/20 0.32
TRPV3 Q8NET8 1/20 0.32

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
SCHEMBL20303651 0.85 NOTUM (0.37) NOTUMKIF11HTTCYP11B1CYP11B2
SCHEMBL17490676 0.82 CYP11B1 (0.35) CYP11B1CYP11B2ADRB2XPO1ALDH1A1
SCHEMBL11974014 0.81 XPO1 (0.36) HTTCYP11B1CYP11B2ADRB2XPO1
SCHEMBL17150174 0.81 KDM4E (0.55) NOTUMKIF11KDM4EALDH1A1
SCHEMBL1433388 0.79 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL28001487 0.79 RXRA (0.43) HTTXPO1P2RX7KCNQ3KCNQ2
SCHEMBL20303765 0.78 XPO1 (0.33) KIF11HTTCYP11B1CYP11B2ADRB2
SCHEMBL8136453 0.75 ALDH1A1 (0.42) KDM4EALDH1A1GRM2
SCHEMBL13019637 0.74 CYP11B1 (0.37) KIF11CYP11B1CYP11B2ADRB2XPO1
SCHEMBL22721535 0.74 KDM4E (0.36) NOTUMKDM4EALDH1A1TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573935-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 2020-01-17 CN disclosed
US-10112949-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) 2018-10-30 US disclosed
EP-3174880-B1 6,7-DIHYDROPYRAZOLO[1,5-A]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-20180222908-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) 2018-08-09 US disclosed
EP-3174880-A1 6,7-DIHYDROPYRAZOLO[1,5-A]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-2016016381-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-10112949-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 NOTUM 3934/4885KIF11 2538/4885HTT 1225/4885
US-20180222908-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 NOTUM 3934/4885KIF11 2538/4885HTT 1225/4885

“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.