SCHEMBL26640445

SCHEMBL26640445

CC(C)(C)OC(=O)N1Cc2cc([N+](=O)[O-])ccc2C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
DRD2 P14416 1/20 0.43
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP2 O95551 1/20 0.39
DPP7 Q9UHL4 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA6 Q16445 1/20 0.38
PNMT P11086 3/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL1948887 0.88 ALDH1A1 (0.48) MAPTLMNAALDH1A1DRD2ESR2
SCHEMBL30648737 0.81 NR1H2 (0.56) MAPTESR2NR1H2RAB9AMMP8
SCHEMBL14875915 0.81 NR1H2 (0.56) MAPTESR2NR1H2RAB9AMMP8
SCHEMBL30561507 0.81 ALDH1A1 (0.51) MAPTLMNAALDH1A1DRD2ESR2
SCHEMBL1655858 0.81 ALDH1A1 (0.51) MAPTLMNAALDH1A1DRD2ESR2
SCHEMBL1393643 0.80 ALDH1A1 (0.57) MAPTLMNAALDH1A1DRD2ESR2
SCHEMBL1953205 0.79 LMNA (0.46) MAPTLMNAALDH1A1DRD2ESR2
SCHEMBL20704324 0.79 ALDH1A1 (0.49) MAPTLMNAALDH1A1DRD2ESR2
SCHEMBL30561550 0.79 ALDH1A1 (0.49) MAPTLMNAALDH1A1DRD2ESR2
SCHEMBL30130812 0.77 NR1H2 (0.67) MAPTLMNAALDH1A1DRD2ESR2

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 MAPT 3283/4885LMNA 4540/4885ALDH1A1 3576/4885

“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.