SCHEMBL19398166

SCHEMBL19398166

CCOC(=O)c1ccnn1CCN

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4A P27815 1/20 0.38

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
SCHEMBL30861113 0.89 TEAD2 (0.45) ALDH1A1KDM4EHPGDGAAMAPK1
SCHEMBL30861065 0.89 TEAD2 (0.45) ALDH1A1KDM4EHPGDGAAMAPK1
SCHEMBL1430083 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDGAAMAPK1
SCHEMBL19436553 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAAMAPK1
SCHEMBL1431721 0.84 RAB9A (0.50) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL2417874 0.84 KDM4E (0.44) ALDH1A1KDM4EHPGDGAAMAPK1
SCHEMBL23666053 0.84 MAPK1 (0.45) ALDH1A1KDM4EHPGDGAAMAPK1
SCHEMBL23750872 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDGAAMAPK1
SCHEMBL24102981 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGAAMAPK1
SCHEMBL22125767 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10967078-B2 Radiolabelled mGluR2 PET ligands JANSSEN PHARMACEUTICA NV (BE) 2021-04-06 US disclosed
US-10220032-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) 2019-03-05 US 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
US-20170273976-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) 2017-09-28 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 (4 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-10220032-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 ALDH1A1 3536/4885KDM4E 2024/4885HPGD 1610/4885
US-10967078-B2 Radiolabelled mGluR2 PET ligands GRM2, GRM3, GRM1 ALDH1A1 4518/4885KDM4E 2567/4885HPGD 2489/4885
US-20170273976-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 ALDH1A1 3951/4885KDM4E 2069/4885HPGD 1972/4885
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 ALDH1A1 3951/4885KDM4E 2069/4885HPGD 1972/4885

“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.