SCHEMBL24620552

SCHEMBL24620552

N#CC1(Nc2nc(Cl)ncc2[N+](=O)[O-])CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 15/20 0.45
▸ CTSB P07858 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PDE4A P27815 2/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.31

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
SCHEMBL29350000 1.00 PIN1 (0.45) PIN1CTSBALDH1A1CYP1A2MAPT
SCHEMBL26921208 0.96 PIN1 (0.42) PIN1PDE4ACTDSP1
SCHEMBL29777877 0.96 PIN1 (0.42) PIN1PDE4ACTDSP1
SCHEMBL26921555 0.88 PIN1 (0.47) PIN1PDE4ACTDSP1
SCHEMBL29777792 0.88 PIN1 (0.47) PIN1PDE4ACTDSP1
SCHEMBL29777806 0.88 PIN1 (0.43) PIN1CTSBPDE4ACTDSP1
SCHEMBL24620098 0.88 PIN1 (0.43) PIN1CTSBPDE4ACTDSP1
SCHEMBL26922234 0.86 PIN1 (0.45) PIN1CTSBPDE4ACTDSP1
SCHEMBL29777859 0.86 PIN1 (0.45) PIN1CTSBPDE4ACTDSP1
SCHEMBL24620414 0.79 PDE4A (0.39) PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940437-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2024-04-26 — — CN disclosed
US-20240083917-A1 Polycyclic Kinase Inhibitor Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2024-03-14 — — US disclosed
EP-4289853-A1 POLYCYCLIC KINASE INHIBITOR Shandong Xuanzhu Pharma Co., Ltd. (CN) 2023-12-13 — — EP disclosed
CN-116669741-A Polycyclic kinase inhibitors 山东轩竹医药科技有限公司 2023-08-29 — — CN disclosed
CN-116406272-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2023-07-07 — — CN disclosed
CN-115433206-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2022-12-06 — — CN disclosed
CN-114907384-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2022-08-16 — — CN disclosed
WO-2022148354-A1 POLYCYCLIC KINASE INHIBITOR 山东轩竹医药科技有限公司 2022-07-14 — — WO disclosed
CN-114195805-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2022-03-18 — — CN disclosed
CN-113956272-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)有限公司 2022-01-21 — — CN 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 (1 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-20240083917-A1 Polycyclic Kinase Inhibitor PRKDC, DCK, DMPK PIN1 810/4885CTSB 4071/4885ALDH1A1 4191/4885

“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.

Send feedback