SCHEMBL17490835

SCHEMBL17490835

COCc1cc(Br)cnc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.47
DYRK1A Q13627 1/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SHMT2 P34897 1/20 0.36
IDO1 P14902 1/20 0.36
RET P07949 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
NPC1 O15118 1/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL23534521 0.82 KMT2A (0.46) KMT2AHTTLMNADYRK1AKDM4E
SCHEMBL2067939 0.82 KMT2A (0.46) KMT2AHTTLMNADYRK1AKDM4E
SCHEMBL20465809 0.81 LMNA (0.55) KMT2ALMNAKDM4EALDH1A1GAA
SCHEMBL14832023 0.81 LMNA (0.50) KMT2ALMNAKDM4EALDH1A1GAA
SCHEMBL17688657 0.81 LMNA (0.38) KMT2AHTTLMNADYRK1AKDM4E
SCHEMBL17420947 0.79 LMNA (0.41) KMT2AHTTLMNAKDM4EALDH1A1
SCHEMBL68962 0.79 KMT2A (0.54) KMT2AHTTDYRK1AKDM4EALDH1A1
SCHEMBL17650881 0.78 KMT2A (0.42) KMT2AHTTDYRK1AKDM4ESHMT2
SCHEMBL23534347 0.78 LMNA (0.36) LMNARET
SCHEMBL2123145 0.78 LMNA (0.47) KMT2ALMNAKDM4EALDH1A1GAA

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
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-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
WO-2016016381-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

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-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 KMT2A 1344/4885HTT 1225/4885LMNA 4437/4885

“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.