SCHEMBL26639986

SCHEMBL26639986

O=[N+]([O-])c1cnc2c(c1)CN(CC(F)(F)F)CC2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
MAPT P10636 2/20 0.33
DRD2 P14416 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
CCR2 P41597 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CDK4 P11802 1/20 0.32
CDK2 P24941 1/20 0.32
CDK6 Q00534 1/20 0.32

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
SCHEMBL6771430 0.83 ALDH1A1 (0.42) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL26640442 0.82 POLB (0.38) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL27967240 0.80 ALDH1A1 (0.36) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL6766529 0.78 RAB9A (0.54) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL7954012 0.77 L3MBTL1 (0.41) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL26640900 0.77 DRD2 (0.42) MEN1KMT2ADRD2LMNACDK4
SCHEMBL29651092 0.77 L3MBTL1 (0.41) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL25975828 0.77 CDK4 (0.38) MEN1KMT2AMAPTDRD2LMNA
SCHEMBL31553927 0.74 GRIA1 (0.39) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL14863290 0.74 CCR2 (0.42) ALDH1A1MAPK1HTTMEN1KMT2A

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 3576/4885MAPK1 404/4885HTT 1429/4885

“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.