SCHEMBL518274

SCHEMBL518274

Cn1cc(-c2nc(Cl)ncc2F)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.51
CDK5R1 Q15078 2/20 0.51
PDK1 Q15118 1/20 0.46
USP2 O75604 8/20 0.44
CYP1A2 P05177 8/20 0.44
ALDH1A1 P00352 5/20 0.44
CASP1 P29466 5/20 0.44
CASP7 P55210 5/20 0.44
HBB P68871 3/20 0.44
CYP3A4 P08684 7/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 3/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
PRKD3 O94806 1/20 0.42
PRKD1 Q15139 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42

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
SCHEMBL30337550 1.00 CDK5 (0.51) CDK5CDK5R1PDK1USP2CYP1A2
SCHEMBL29994241 0.86 CDK5 (0.53) CDK5CDK5R1PDK1USP2CYP1A2
SCHEMBL517423 0.86 CDK5 (0.53) CDK5CDK5R1PDK1USP2CYP1A2
SCHEMBL30052020 0.85 CDK5 (0.52) CDK5CDK5R1PDK1USP2CYP1A2
SCHEMBL14719082 0.85 CDK5 (0.52) CDK5CDK5R1PDK1USP2CYP1A2
SCHEMBL24900483 0.84 PDK1 (0.42) CDK5CDK5R1PDK1USP2CYP1A2
SCHEMBL17490480 0.84 PDK1 (0.50) CDK5CDK5R1PDK1USP2CYP1A2
SCHEMBL30957637 0.84 PDK1 (0.50) CDK5CDK5R1PDK1USP2CYP1A2
SCHEMBL30957561 0.84 PDK1 (0.42) CDK5CDK5R1PDK1USP2CYP1A2
SCHEMBL17373164 0.84 CDK5 (0.57) CDK5CDK5R1PDK1USP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136576-A1 Heterocyclic Compounds and Uses Thereof ACEA Therapeutics, Inc. (US) 2025-05-01 US disclosed
EP-4370212-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2024-05-22 EP disclosed
US-RE49851-E1 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2024-02-27 US disclosed
US-RE49851-E1 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2024-02-27 US disclosed
US-RE49851-E1 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2024-02-27 US disclosed
WO-2024022244-A1 HETEROCYCLIC COMPOUND HAVING BIOLOGICAL ACTIVITY 首药控股(北京)股份有限公司 2024-02-01 WO disclosed
CN-111892579-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-07-25 CN disclosed
CN-111875585-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-06-23 CN disclosed
CN-115974845-A Preparation method of oxitinib intermediate 奥锐特药业股份有限公司 2023-04-18 CN disclosed
WO-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 WO disclosed
WO-2016015453-A1 PYRIDINE AMIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 上海艾力斯医药科技有限公司 2016-02-04 WO disclosed
EP-2601186-A2 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 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 (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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 CDK5 195/4885CDK5R1 391/4885PDK1 174/4885
US-20250136576-A1 Heterocyclic Compounds and Uses Thereof CHEK2, CDK2, CDK1 CDK5 22/4885CDK5R1 113/4885PDK1 55/4885

“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.