SCHEMBL22858728

SCHEMBL22858728

CC(=O)Nc1cc(Br)ccc1C(=O)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
HTT P42858 1/20 0.47
HDAC1 Q13547 1/20 0.43
DYRK1A Q13627 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ACLY P53396 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
BRD4 O60885 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL16095775 0.82 ALDH1A1 (0.48) ALDH1A1CYP2C19ACLYLMNA
SCHEMBL3915465 0.81 ALDH1A1 (0.61) ALDH1A1HTTHDAC1DYRK1ARAB9A
SCHEMBL25492919 0.80 ALDH1A1 (0.55) ALDH1A1HTTHDAC1DYRK1ARAB9A
SCHEMBL29144725 0.80 ALDH1A1 (0.59) ALDH1A1HTTHDAC1DYRK1ARAB9A
SCHEMBL3990612 0.79 ABCG2 (0.56) ALDH1A1HTTCYP1A2CYP3A4CYP2C9
SCHEMBL29476211 0.79 ABCG2 (0.56) ALDH1A1HTTCYP1A2CYP3A4CYP2C9
SCHEMBL1284518 0.77 ALDH1A1 (0.64) ALDH1A1HTTHDAC1DYRK1ARAB9A
SCHEMBL5768691 0.76 CYP2C19 (0.61) ALDH1A1HTTRAB9ANPC1CYP1A2
SCHEMBL22158295 0.75 ALDH1A1 (0.57) ALDH1A1HTTHDAC1DYRK1ARAB9A
SCHEMBL3715354 0.75 ALDH1A1 (0.58) ALDH1A1HTTHDAC1DYRK1ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12454534-B2 Pyrrolo[2,3-b]pyrazines as HPK1 inhibitor and the use thereof BEONE MEDICINES I GMBH (CH) 2025-10-28 US disclosed
CN-115073474-B Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-10-18 CN disclosed
CN-115073474-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-20 CN disclosed
CN-115028639-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-09 CN disclosed
US-20220267333-A1 PYRROLO[2,3-b]PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEONE MEDICINES I GMBH (CH) 2022-08-25 US disclosed
EP-3994136-A1 PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BeiGene, Ltd. (KY) 2022-05-11 EP disclosed
WO-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 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 (2 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-20220267333-A1 PYRROLO[2,3-b]PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF PDXK, STK25, STK35 ALDH1A1 3320/4885HTT 1541/4885HDAC1 528/4885
US-12454534-B2 Pyrrolo[2,3-b]pyrazines as HPK1 inhibitor and the use thereof PDXK, STK25, STK35 ALDH1A1 3320/4885HTT 1541/4885HDAC1 528/4885

“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.