SCHEMBL22864722

SCHEMBL22864722

CS(=O)(=O)C1CNc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.33
▸ CCKBR P32239 2/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ F12 P00748 3/20 0.31
▸ F2 P00734 2/20 0.31

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
SCHEMBL29557640 1.00 HPGD (0.33) HPGDCCKBRMTNR1AMTNR1BPAX8
SCHEMBL7673571 0.81 KCNH2 (0.33) HPGDCCKBRMTNR1AMTNR1BPAX8
SCHEMBL3139041 0.81 CA1 (0.33) CCKBRCHRNB4CHRNA3KMT2AALDH1A1
Methylamine SCHEMBL28799881 0.81 MTNR1A (0.33) HPGDCCKBRMTNR1AMTNR1BPAX8
Hydrochloric Acid SCHEMBL27712072 0.80 KCNH2 (0.33) HPGDCCKBRMTNR1AMTNR1BPAX8
Hydrochloric Acid SCHEMBL27907053 0.80 CA1 (0.33) CCKBRCHRNB4CHRNA3KMT2AALDH1A1
SCHEMBL27582656 0.74 CHRNB4 (0.37) CCKBRMTNR1AMTNR1BPAX8CHRNB4
SCHEMBL22864428 0.70 CCKBR (0.32) CCKBRMTNR1AMTNR1BPAX8CHRNB4
SCHEMBL3696128 0.70 CCKBR (0.38) CCKBRPAX8
SCHEMBL21192935 0.70 CCKBR (0.38) CCKBRMTNR1AMTNR1BKMT2AKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315796-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 — — CN disclosed
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2022-12-08 — — US disclosed
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 — — CN disclosed
CN-114315796-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-04-12 — — CN disclosed
WO-2021000935-A1 HPK1 INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2021-01-07 — — 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-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, SIK1, PGK1 HPGD 541/4885CCKBR 4089/4885MTNR1A 4501/4885

“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.

Send feedback