SCHEMBL26640673

SCHEMBL26640673

N#CCc1cc([N+](=O)[O-])ccc1N1CCC(O)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.52
LMNA P02545 5/20 0.52
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 6/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
GAA P10253 4/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL853027 0.82 ALDH1A1 (0.72) ALDH1A1LMNAKDM4ETDP1MAPT
SCHEMBL27075997 0.81 ALDH1A1 (0.53) ALDH1A1LMNAKDM4ETDP1MAPT
SCHEMBL30648625 0.78 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL26641021 0.78 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL16825132 0.78 ALDH1A1 (0.71) ALDH1A1LMNAKDM4ETDP1MAPT
SCHEMBL27993656 0.78 TDP1 (0.54) ALDH1A1LMNAKDM4ETDP1MAPT
SCHEMBL4879328 0.78 ALDH1A1 (0.51) ALDH1A1LMNAKDM4ETDP1MAPT
SCHEMBL25404203 0.77 ALDH1A1 (0.60) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL29507768 0.77 ALDH1A1 (0.66) ALDH1A1LMNAKDM4ETDP1MAPT
SCHEMBL855387 0.77 HTT (0.55) ALDH1A1LMNAKDM4ETDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 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 (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-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 ALDH1A1 3576/4885LMNA 4540/4885KDM4E 1997/4885

“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.