SCHEMBL2899324

SCHEMBL2899324

Ic1nc(-c2ccccn2)[nH]c1I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 10/20 0.54
METAP1 P53582 9/20 0.54
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
PKM P14618 4/20 0.54
LMNA P02545 4/20 0.54
HPGD P15428 3/20 0.54
MTOR P42345 1/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 1/20 0.54
CBFB Q13951 9/20 0.51
TP53 P04637 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.49
HIF1A Q16665 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
SCHEMBL2893940 0.84 METAP2 (0.53) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL17810407 0.82 KDM4E (0.54) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL31181697 0.82 KMT2A (0.59) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL12943863 0.74 METAP2 (0.67) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL13866537 0.73 NPC1 (0.81) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL2896103 0.72 NPY5R (0.59) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL18465753 0.72 BTK (0.49) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL5478697 0.71 KDM4E (0.59) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL124947 0.70 METAP2 (1.00) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL28014813 0.69 SMN1; SMN2 (0.59) METAP2METAP1NPC1RAB9ASMN1; SMN2

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 10 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
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 EP 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 METAP2 3268/4885METAP1 4297/4885NPC1 1715/4885
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 METAP2 1109/4885METAP1 707/4885NPC1 1413/4885

“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.