SCHEMBL19915899

SCHEMBL19915899

CC(C)(C)OC(=O)NC1CCC(C#N)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.56
BTK Q06187 1/20 0.49
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
KCNA3 P22001 1/20 0.45
GAA P10253 2/20 0.44
EPHX1 P07099 2/20 0.43
DRD2 P14416 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HSD11B1 P28845 2/20 0.40
EPHX2 P34913 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CTSS P25774 1/20 0.39

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
SCHEMBL880633 1.00 CTSK (0.56) CTSKBTKKDM1AMAOBKCNA3
SCHEMBL25455746 0.90 BTK (0.54) CTSKBTKKDM1AMAOBKCNA3
SCHEMBL14737711 0.90 BTK (0.54) CTSKBTKKDM1AMAOBKCNA3
SCHEMBL25640416 0.90 BTK (0.54) CTSKBTKKDM1AMAOBKCNA3
SCHEMBL31629826 0.90 BTK (0.54) CTSKBTKKDM1AMAOBKCNA3
SCHEMBL3898086 0.90 BTK (0.54) CTSKBTKKDM1AMAOBKCNA3
SCHEMBL8271202 0.90 BTK (0.54) CTSKBTKKDM1AMAOBKCNA3
SCHEMBL3702157 0.86 BTK (0.61) CTSKBTKKDM1AMAOBGAA
SCHEMBL10343938 0.86 BTK (0.61) CTSKBTKKDM1AMAOBGAA
SCHEMBL3702152 0.86 BTK (0.61) CTSKBTKKDM1AMAOBGAA

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479858-B2 Macrocyclic compounds as sting agonists and methods and uses thereof LUPIN LIMITED (IN) 2025-11-25 US disclosed
US-20240390298-A1 CYCLOHEXYL BETA-HYDROXY ALKYL AMINES AND MEDICAL USES THEREOF ATROGI AB (SE) 2024-11-28 US disclosed
US-20240383898-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION YIYOU BIOTECH (SHANGHAI) CO., LTD. (CN) 2024-11-21 US disclosed
EP-4405041-A1 CYCLOHEXYL BETA-HYDROXY ALKYL AMINES AND MEDICAL USES THEREOF Atrogi AB (SE) 2024-07-31 EP disclosed
EP-4004002-B1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF LUPIN LTD (IN) 2024-07-10 EP disclosed
EP-4393923-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION Yiyou Biotech (Shanghai) Co., Ltd. (CN) 2024-07-03 EP disclosed
EP-4393923-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION Yiyou Biotech (Shanghai) Co., Ltd. (CN) 2024-07-03 EP disclosed
CN-112566697-B Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2024-04-16 CN disclosed
WO-2023219939-A1 COMPOUNDS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA Design Therapeutics, Inc. (US) 2023-11-16 WO disclosed
WO-2023115327-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION 中国药科大学 2023-06-29 WO disclosed
WO-2021209055-A1 IMIDAZOLINONE DERIVATIVE AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2021-10-21 WO disclosed
WO-2021136461-A1 PURINE DERIVATIVE AND MEDICAL USE THEREOF 成都百裕制药股份有限公司 2021-07-08 WO disclosed
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-06-29 US disclosed
EP-3837012-A1 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-06-23 EP disclosed
CN-112566697-A Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2021-03-26 CN disclosed
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2020-03-05 US disclosed
WO-2020036979-A1 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 WO disclosed
EP-3505517-A1 FUSED HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2019-07-03 EP disclosed
US-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-06-20 US disclosed
WO-2018036414-A1 FUSED HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 北京诺诚健华医药科技有限公司 2018-03-01 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 (6 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-12479858-B2 Macrocyclic compounds as sting agonists and methods and uses thereof STING1, CGAS, MAVS CTSK 735/4885BTK 301/4885KDM1A 4637/4885
US-20240390298-A1 CYCLOHEXYL BETA-HYDROXY ALKYL AMINES AND MEDICAL USES THEREOF H1-5, CYP3A5, HRH3 CTSK 1771/4885BTK 1459/4885KDM1A 1282/4885
US-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF IDO1, IDO2, INMT CTSK 3782/4885BTK 114/4885KDM1A 422/4885
US-20240383898-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION JAK1, WEE1, JAK2 CTSK 3665/4885BTK 59/4885KDM1A 1452/4885
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS CTSK 3294/4885BTK 1916/4885KDM1A 2860/4885
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof IDO1, IDO2, INMT CTSK 3782/4885BTK 114/4885KDM1A 422/4885

“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.