SCHEMBL2413799

SCHEMBL2413799

FC(F)c1ccc(Br)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
NT5E P21589 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
ESR1 P03372 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE2A O00408 1/20 0.32
MAPT P10636 1/20 0.32
PYCR1 P32322 1/20 0.32
HSD11B1 P28845 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
SCHEMBL21994510 0.83 MAPK1 (0.33) MAPK1NT5EALDH1A1HTTESR1
SCHEMBL5781785 0.82 ALDH1A1 (0.36) MAPK1NT5EALDH1A1HTTLMNA
SCHEMBL30609650 0.82 ALDH1A1 (0.36) MAPK1NT5EALDH1A1HTTLMNA
SCHEMBL1569950 0.79 MAPK1 (0.36) MAPK1NT5EALDH1A1HTTESR1
SCHEMBL16760245 0.78 ALDH1A1 (0.33) MAPK1NT5EALDH1A1LMNAMAPT
SCHEMBL16771913 0.78 NISCH (0.33) MAPK1NT5EHTTESR1LMNA
SCHEMBL9073025 0.77 LMNA (0.39) ALDH1A1HTTESR1LMNATP53
SCHEMBL2413818 0.77 MAPK1 (0.42) MAPK1ALDH1A1HTTESR1LMNA
Hydrochloric Acid SCHEMBL16760262 0.77 NISCH (0.32) MAPK1HTTESR1LMNATP53
Hydrochloric Acid SCHEMBL30161969 0.77 NISCH (0.32) MAPK1HTTESR1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200121677-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (US) 2020-04-23 US disclosed
US-10005786-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-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-10005786-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-20170217972-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
US-20170217972-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-2016016380-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-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
US-8822503-B2 2-pyridone compounds TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-09-02 US disclosed
CN-102884047-A 2-pyridone compounds TAISHO PHARMACEUTICAL CO LTD 2013-01-16 CN disclosed
EP-2508513-A1 2-PYRIDONE COMPOUNDS Taisho Pharmaceutical Co., Ltd. (JP) 2012-10-10 EP disclosed
US-20110237791-A1 2-PYRIDONE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-09-29 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 (6 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-20110237791-A1 2-PYRIDONE COMPOUNDS PDXK, HK1, KCNJ2 MAPK1 179/4885NT5E 3769/4885ALDH1A1 2239/4885
US-20170217972-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 MAPK1 1409/4885NT5E 2121/4885ALDH1A1 3951/4885
US-10005786-B2 Substituted 6,7-dihydropyrazolo[1,5-a]pyrazines as negative allosteric modulators of MGLUR2 receptors GRM2, GRM5, GRM1 MAPK1 1338/4885NT5E 2323/4885ALDH1A1 3723/4885
US-20200121677-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 MAPK1 1724/4885NT5E 1880/4885ALDH1A1 4145/4885
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 MAPK1 1409/4885NT5E 2121/4885ALDH1A1 3951/4885
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors GRM2, GRM5, GRM1 MAPK1 1338/4885NT5E 2323/4885ALDH1A1 3723/4885

“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.