SCHEMBL2145143

SCHEMBL2145143

Cc1cc([N+](=O)[O-])cnc1N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
CYP1A2 P05177 4/20 0.56
CYP2C9 P11712 4/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 5/20 0.56
CYP2C19 P33261 2/20 0.56
HTT P42858 3/20 0.52
MAPK1 P28482 2/20 0.52
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
TRPV1 Q8NER1 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL801074 0.90 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL25199087 0.87 HTT (0.64) ALDH1A1CYP1A2CYP2C9MAPTCYP2C19
SCHEMBL3725533 0.87 HTT (0.68) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL4675601 0.84 ALDH1A1 (0.74) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL907889 0.84 ALDH1A1 (0.54) ALDH1A1CYP1A2MAPTCYP2C19HTT
SCHEMBL4752887 0.84 ALDH1A1 (0.54) ALDH1A1HTTMAPK1KMT2AMEN1
SCHEMBL3544112 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9HPGDMAPT
Hydrochloric Acid SCHEMBL4753957 0.83 ALDH1A1 (0.52) ALDH1A1HTTMAPK1KMT2AMEN1
Hydrochloric Acid SCHEMBL3174215 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2MAPTCYP2C19HTT
SCHEMBL3363772 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2026-01-20 US disclosed
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 EP disclosed
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2025-02-13 US disclosed
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2024-11-14 US disclosed
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-06 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
WO-2023001794-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-01-26 WO disclosed
US-20220041590-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2022-02-10 US disclosed
CN-113164476-A Small molecule inhibitor of DYRK1/CLK and application thereof 代表亚利桑那大学的亚利桑那校董会 2021-07-23 CN disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
CN-102203093-A Aminotriazolopyridines and their use as kinase inhibitors SIGNAL PHARM LLC 2011-09-28 CN disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 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 (8 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK ALDH1A1 1638/4885CYP1A2 4413/4885CYP2C9 4459/4885
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 ALDH1A1 1694/4885CYP1A2 654/4885CYP2C9 2225/4885
US-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK3, CLK2, CLK1 ALDH1A1 3885/4885CYP1A2 3069/4885CYP2C9 3609/4885
US-20220041590-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 ALDH1A1 2781/4885CYP1A2 3651/4885CYP2C9 4143/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 ALDH1A1 1694/4885CYP1A2 654/4885CYP2C9 2225/4885
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PDXK, PGK1, PGK2 ALDH1A1 1591/4885CYP1A2 2440/4885CYP2C9 3533/4885
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK2, CLK1, CLK3 ALDH1A1 2781/4885CYP1A2 3651/4885CYP2C9 4143/4885
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 ALDH1A1 2781/4885CYP1A2 3651/4885CYP2C9 4143/4885

“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.