SCHEMBL2554448

SCHEMBL2554448

O=[N+]([O-])c1c[nH]nc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.33
TXNRD1 Q16881 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 5/20 0.31
TSHR P16473 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
BLM P54132 2/20 0.31
HPGD P15428 2/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 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
SCHEMBL22572956 0.92 ALDH1A1 (0.34) GPR35TXNRD1SMN1; SMN2LMNAMAPT
SCHEMBL4539279 0.89 MAPT (0.38) TXNRD1LMNAMAPTCYP1A2ALDH1A1
SCHEMBL22089936 0.88 JAK2 (0.34) TXNRD1LMNAALDH1A1TDP1
SCHEMBL22572955 0.83 MAPT (0.33) GPR35TXNRD1MAPTMEN1KMT2A
SCHEMBL28899995 0.83 TXNRD1 (0.34) TXNRD1MAPTCYP1A2MEN1KMT2A
SCHEMBL22090173 0.77 TXNRD1 (0.36) TXNRD1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL24791181 0.72 JAK2 (0.36) GPR35TXNRD1SMN1; SMN2LMNAMAPT
SCHEMBL2551773 0.71 GAA (0.34) GPR35TXNRD1SMN1; SMN2LMNAKMT2A
SCHEMBL22749598 0.70
SCHEMBL43356 0.70 GPR35 (0.38) GPR35SMN1; SMN2LMNAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025264959-A1 SUBSTITUTED PYRAZOLOPYRIDINES AS PHOSPHOINOSIDIDE KINASE (PIK) MODULATORS RECURSION PHARMACEUTICALS, INC. (US) 2025-12-26 WO disclosed
EP-4665734-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS Novartis AG (CH) 2025-12-24 EP disclosed
EP-4635570-A2 PYRIMIDIN-2-YLAMINO-1H-PYRAZOLS AS LRRK2 INHIBITORS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS Denali Therapeutics Inc. (US) 2025-10-22 EP disclosed
US-20250313575-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-10-09 US disclosed
EP-4620959-A1 CYCLIC COMPOUNDS USED AS MULTI-TARGET KINASE INHIBITORS AND PREPARATION METHOD THEREFOR Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2025-09-24 EP disclosed
US-12358896-B2 LRRK2 inhibitors and methods of making and using thereof DENALI THERAPEUTICS INC. (US) 2025-07-15 US disclosed
US-20250144094-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. 2025-05-08 US disclosed
EP-3998261-B1 PYRIMIDIN-2-YLAMINO-1H-PYRAZOLS AS LRRK2 INHIBITORS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS DENALI THERAPEUTICS INC (US) 2025-05-07 EP disclosed
EP-4525875-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-03-26 EP disclosed
US-20250034119-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. 2025-01-30 US disclosed
EP-2760857-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-08-06 EP disclosed
CN-103313978-A Pyrazole aminopyrimidine derivatives as LRRK2 modulators HOFFMANN LA ROCHE 2013-09-18 CN disclosed
EP-2638031-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP disclosed
WO-2013045461-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-04 WO disclosed
EP-2556066-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2013-02-13 EP disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
WO-2011124580-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 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 (5 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-20250144094-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 GPR35 4376/4885TXNRD1 2264/4885SMN1; SMN2 3817/4885
US-20250034119-A1 COMPOUNDS, COMPOSITIONS, AND METHODS LRRK2, SNCA, PARK7 GPR35 2101/4885TXNRD1 776/4885SMN1; SMN2 72/4885
US-12358896-B2 LRRK2 inhibitors and methods of making and using thereof LRRK2, PARK7, GSK3B GPR35 3352/4885TXNRD1 802/4885SMN1; SMN2 174/4885
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 GPR35 263/4885TXNRD1 638/4885SMN1; SMN2 778/4885
US-20250313575-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, PARK7 GPR35 2356/4885TXNRD1 2517/4885SMN1; SMN2 673/4885

“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.