SCHEMBL23022152

SCHEMBL23022152

Oc1csc2cnccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPKAPK2 P49137 1/20 0.42
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 2/20 0.38
NCOA1 Q15788 2/20 0.38
NCOA3 Q9Y6Q9 2/20 0.38
BRAF P15056 1/20 0.37
KDM5A P29375 1/20 0.37
ERN1 O75460 1/20 0.37
MAP3K7 O43318 7/20 0.36
TAB1 Q15750 7/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL12636082 0.77 CYP2A6 (0.41) CYP2A6KDM4EALDH1A1HSD17B10HTT
SCHEMBL658960 0.77 AXL (0.42) CYP2A6KDM4EALDH1A1HSD17B10HTT
SCHEMBL30098534 0.75 CYP2A6 (0.43) CYP2A6KDM4EEP300KAT2BKAT8
SCHEMBL619829 0.75 CYP2A6 (0.43) CYP2A6KDM4EEP300KAT2BKAT8
SCHEMBL23021840 0.75 CYP2A6 (0.40) CYP2A6KDM4EALDH1A1HTTNCOA1
SCHEMBL3931535 0.75 CYP2A6 (0.41) CYP2A6KDM4EALDH1A1HSD17B10HTT
SCHEMBL351737 0.73 TBXAS1 (0.47) CYP2A6KDM4EALDH1A1HSD17B10MAPT
SCHEMBL15573652 0.72 CYP2A6 (0.45) CYP2A6KDM4EALDH1A1HSD17B10HTT
Hydrochloric Acid SCHEMBL8881790 0.71 CYP2A6 (0.51) CYP2A6KDM4EALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL8882792 0.71 CYP2A6 (0.51) CYP2A6KDM4EALDH1A1HSD17B10MAPT

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
CN-114341127-B Aminopyrazine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-12-17 CN disclosed
US-20220289712-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEONE MEDICINES I GMBH (CH) 2022-09-15 US 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 CYP2A6 3445/4885KDM4E 2401/4885MAPKAPK2 32/4885

“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.