SCHEMBL26640360

SCHEMBL26640360

CN(C)CCN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
CYP2C19 P33261 2/20 0.44
POLB P06746 2/20 0.44
GAA P10253 3/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 4/20 0.37
RAB9A P51151 4/20 0.37
LMNA P02545 3/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NR1D1 P20393 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34

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
SCHEMBL477465 0.83 CYP2C19 (0.50) PKMCYP2C19POLBGAACYP1A2
SCHEMBL11446255 0.82 PKM (0.50) PKMCYP2C19POLBGAACYP1A2
SCHEMBL6019396 0.81 CYP2C19 (0.51) PKMCYP2C19POLBGAACYP1A2
SCHEMBL26640862 0.81 PHLPP2 (0.36) ALDH1A1
SCHEMBL30648808 0.81 PHLPP2 (0.36) ALDH1A1
Hydrochloric Acid SCHEMBL11454745 0.81 PKM (0.49) PKMCYP2C19POLBGAACYP1A2
SCHEMBL6648464 0.80 POLB (0.42) PKMCYP2C19POLBGAAMAPT
SCHEMBL18519552 0.80 CYP2C19 (0.41) PKMCYP2C19POLBGAACYP1A2
SCHEMBL26640291 0.80 ALDH1A1 (0.40) CYP2C19POLBGAACYP1A2MAPT
SCHEMBL7913868 0.79 CYP2C19 (0.49) PKMCYP2C19POLBGAACYP1A2

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 PKM 588/4885CYP2C19 2625/4885POLB 869/4885

“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.