SCHEMBL23022243

SCHEMBL23022243

C[C@]1(O)CC[C@@H](n2cc(O)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
BMPR1A P36894 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
ACHE P22303 3/20 0.36
CNR2 P34972 1/20 0.35
CPB2 Q96IY4 1/20 0.33
ALK Q9UM73 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
MPO P05164 1/20 0.31
KDM1A O60341 1/20 0.31
JAK1 P23458 2/20 0.31
JAK3 P52333 2/20 0.31
TTK P33981 1/20 0.30
PRKDC P78527 1/20 0.30
PSMB8 P28062 1/20 0.30
PSMB9 P28065 1/20 0.30

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
SCHEMBL23013386 1.00 ESR2 (0.42) ESR2BMPR1AACVRL1ACVR1ACHE
SCHEMBL24687095 0.83
SCHEMBL27322625 0.83 OGA (0.43) ESR2BMPR1AACVRL1ACVR1ACHE
SCHEMBL659819 0.81 MPO (0.50) ESR2BMPR1AACVRL1ACVR1ACHE
SCHEMBL660557 0.81 MPO (0.50) ESR2BMPR1AACVRL1ACVR1ACHE
SCHEMBL659820 0.81 MPO (0.50) ESR2BMPR1AACVRL1ACVR1ACHE
SCHEMBL11181795 0.80 ACHE (0.47) BMPR1AACVRL1ACVR1ACHEALK
SCHEMBL16101432 0.80 ACHE (0.51) BMPR1AACVRL1ACVR1ACHEALK
SCHEMBL11005580 0.78 ACHE (0.50) BMPR1AACVRL1ACVR1ACHECHRNB2
SCHEMBL23012341 0.77 ALOX15 (0.42) BMPR1AACVRL1ACVR1ACHEGAA

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 ESR2 3333/4885BMPR1A 3552/4885ACVRL1 2930/4885

“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.