SCHEMBL21590176

SCHEMBL21590176

CN(CC(C)(C)O)C(=O)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 2/20 0.45
▸ CDK4 P11802 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41

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
SCHEMBL29845697 0.82 MEN1 (0.49) MLYCDCDK4CCND1HDAC6HDAC1
SCHEMBL22858842 0.81 MLYCD (0.44) MLYCDHDAC6HDAC1ESRRGCA2
SCHEMBL22858843 0.80 MLYCD (0.43) MLYCDCDK4CCND1HDAC6HDAC1
SCHEMBL22858913 0.80 ALDH1A1 (0.39) MLYCDPOLBLMNARAB9AALDH1A1
SCHEMBL12101326 0.78 HDAC4 (0.47) CDK4CCND1HDAC6HDAC1POLB
SCHEMBL12377306 0.77 ESRRG (0.45) MLYCDHDAC6HDAC1ALDH1A1ESRRG
SCHEMBL28504577 0.76 POLB (0.38) MLYCDCDK4CCND1HDAC6HDAC1
SCHEMBL6034132 0.75 CDK4 (0.51) MLYCDCDK4CCND1HDAC6HDAC1
SCHEMBL22922406 0.75 CDK4 (0.51) MLYCDCDK4CCND1HDAC6HDAC1
SCHEMBL17914174 0.75 CDK4 (0.51) MLYCDCDK4CCND1HDAC6HDAC1

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 13 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
WO-2022253311-A1 HPK1 INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-12-08 — — WO disclosed
CN-115433184-A HPK1 inhibitor and application thereof 武汉人福创新药物研发中心有限公司 2022-12-06 — — 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
CN-114096536-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-02-25 — — CN disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 — — CN disclosed
WO-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 — — WO disclosed
WO-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 — — WO disclosed
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 — — 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 MLYCD 4316/4885CDK4 1311/4885CCND1 4179/4885
US-12454534-B2 Pyrrolo[2,3-b]pyrazines as HPK1 inhibitor and the use thereof PDXK, STK25, STK35 MLYCD 4316/4885CDK4 1311/4885CCND1 4179/4885

“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.

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