SCHEMBL17810232

SCHEMBL17810232

Ic1nc(-c2cccnc2)[nH]c1I

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
STAT1 P42224 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LDHA P00338 1/20 0.54
EPHX2 P34913 1/20 0.54
CYP2A6 P11509 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTT P42858 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP11B1 P15538 1/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KDM4C Q9H3R0 1/20 0.49
BTK Q06187 1/20 0.49

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
SCHEMBL17801679 0.79 GAA (0.48) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL8054731 0.74 MAPT (0.67) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL120088 0.73 CYP2A6 (1.00) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL29419014 0.73 CYP2A6 (1.00) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL30473120 0.73 CYP2A6 (1.00) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17810406 0.73 NPY5R (0.62) ALDH1A1CYP2A6CYP1A2CYP3A4BTK
SCHEMBL11698251 0.73 KDM4E (0.56) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL9736817 0.72 MAPK13 (0.71) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL19662789 0.72 PKN1 (0.61) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL11694864 0.71 KDM4E (0.54) MAPTKDM4EALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227295-B1 6,7-DIHYDROPYRAZOLO[1,5- ]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLU2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-20 EP disclosed
US-20170369493-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN-CILAG, S.A. (ES) 2017-12-28 US disclosed
WO-2016087487-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) 2016-06-09 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 (1 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-20170369493-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 MAPT 940/4885KDM4E 2069/4885ALDH1A1 3951/4885

“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.