SCHEMBL17801679

SCHEMBL17801679

Ic1nc(-c2ccccc2)[nH]c1I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPK13 O15264 3/20 0.46
MAPK12 P53778 3/20 0.46
MAPK11 Q15759 3/20 0.46
MAPK14 Q16539 3/20 0.46
RAF1 P04049 2/20 0.46
MAPK9 P45984 1/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL28078872 0.79 PIN1 (0.56) GAANPC1RAB9AMAPK13MAPK12
SCHEMBL18585937 0.79 GAA (0.49) GAANPC1RAB9AMAPK13MAPK12
SCHEMBL17810232 0.79 MAPT (0.55) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL11314796 0.75 BTK (0.43) GAANPC1RAB9AMAPK13MAPK12
SCHEMBL1719774 0.75 MAPK13 (0.49) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL1720364 0.74 CYP1A2 (0.55) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL2899324 0.72 METAP2 (0.54) GAANPC1RAB9AALDH1A1MAPT
SCHEMBL1720665 0.71 TRPV1 (0.49) TNKS2NPY5RSCN2A
SCHEMBL27741615 0.71 MAPK14 (0.50) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL27741601 0.71 MAPK13 (0.57) NPC1RAB9AMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105753788-A Preparation method of 1-substituted-2-phenyl-4-idoimidazole 西南科技大学 2016-07-13 CN claimed
CN-107001375-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 2020-06-09 CN disclosed
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-10072014-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) 2018-09-11 US 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
EP-3227295-A1 6,7-DIHYDROPYRAZOLO[1,5- ]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceutica NV (BE) 2017-10-11 EP disclosed
CN-105753788-A Preparation method of 1-substituted-2-phenyl-4-idoimidazole 西南科技大学 2016-07-13 CN 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 (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-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 GAA 3925/4885NPC1 1715/4885RAB9A 1924/4885
US-10072014-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 GAA 3925/4885NPC1 1715/4885RAB9A 1924/4885

“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.