SCHEMBL17076907

SCHEMBL17076907

Cc1nn(C(C)(C)C#N)cc1N

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.40
CYP1A2 P05177 1/20 0.40
TTK P33981 1/20 0.40

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
SCHEMBL21610973 0.81 LRRK2 (0.42) LRRK2CYP1A2TTK
SCHEMBL15650272 0.80 LRRK2 (0.39) LRRK2CYP1A2TTK
SCHEMBL25676497 0.79 LRRK2 (0.44) LRRK2CYP1A2TTK
SCHEMBL474984 0.78 HPGD (0.34)
SCHEMBL23284544 0.78 LRRK2 (0.40) LRRK2CYP1A2TTK
SCHEMBL15651627 0.77 GAA (0.34) LRRK2CYP1A2TTK
SCHEMBL15651873 0.75 LRRK2 (0.45) LRRK2CYP1A2TTK
SCHEMBL20555643 0.71 LRRK2 (0.37) LRRK2CYP1A2TTK
SCHEMBL25018491 0.70 LRRK2 (0.41) LRRK2CYP1A2TTK
SCHEMBL4537025 0.70 LMNA (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 EP disclosed
WO-2024240256-A1 POLYCYCLIC COMPOUNDS AS KINASE INHIBITORS, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国科学院上海有机化学研究所 2024-11-28 WO disclosed
WO-2024240118-A1 PREPARATION FOR AND USE OF HETEROARYL DERIVATIVES 广州智睿医药科技有限公司 2024-11-28 WO disclosed
CN-119019454-A Preparation and application of heteroaryl derivative 广州智睿医药科技有限公司 2024-11-26 CN disclosed
CN-119019402-A Polycyclic compounds as LRRK2 kinase inhibitors, methods of preparation and uses thereof 中国科学院上海有机化学研究所 2024-11-26 CN disclosed
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2024-11-14 US disclosed
EP-4373817-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2024-05-29 EP disclosed
CN-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 CN disclosed
CN-117247387-A Aromatic heterocyclic compound and preparation method thereof 上海翊石医药科技有限公司 2023-12-19 CN disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
WO-2023001794-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-01-26 WO disclosed
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-04-21 US disclosed
US-11214565-B2 Compound, compositions, and methods DENALI THERAPEUTICS INC. (US) 2022-01-04 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. 2018-11-15 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US 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 (10 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-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, MAPT LRRK2 1/4885CYP1A2 3151/4885TTK 900/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885CYP1A2 3832/4885TTK 154/4885
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, SNCA LRRK2 1/4885CYP1A2 3146/4885TTK 929/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885CYP1A2 3276/4885TTK 101/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885CYP1A2 3832/4885TTK 154/4885
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B LRRK2 1/4885CYP1A2 4088/4885TTK 245/4885
US-11214565-B2 Compound, compositions, and methods LRRK2, PARK7, MAPT LRRK2 1/4885CYP1A2 3151/4885TTK 900/4885
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PDXK, PGK1, PGK2 LRRK2 3283/4885CYP1A2 2440/4885TTK 183/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885CYP1A2 3709/4885TTK 160/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885CYP1A2 3709/4885TTK 160/4885

“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.