SCHEMBL23022136

SCHEMBL23022136

CN1CCc2c(N)cc(Br)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
SLC6A4 P31645 1/20 0.39
DRD1 P21728 2/20 0.35
DRD5 P21918 2/20 0.35
DRD2 P14416 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ADORA1 P30542 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL29507103 1.00 MAOA (0.40) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL29507157 0.81 MAOA (0.41) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL22858691 0.81 MAOA (0.41) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL8185029 0.79 MAOA (0.40) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL29507159 0.77 MAOA (0.38) MAOAMAOBSLC6A4ADRA2AADRA2B
SCHEMBL22858881 0.77 MAOA (0.56) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL29507084 0.77 MAOA (0.56) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL23022168 0.77 MAOA (0.38) MAOAMAOBSLC6A4ADRA2AADRA2B
SCHEMBL24040089 0.76 MAOA (0.40) MAOAMAOBSLC6A4DRD1DRD2
SCHEMBL29557955 0.76 MAOA (0.40) MAOAMAOBSLC6A4DRD1DRD2

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-20220289712-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEONE MEDICINES I GMBH (CH) 2022-09-15 US disclosed
CN-114341127-A Aminopyrazine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-04-12 CN disclosed
WO-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 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-20220289712-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF MAPKAPK5, STK25, STK35 MAOA 3471/4885MAOB 3565/4885SLC6A4 2043/4885

“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.