SCHEMBL26640337

SCHEMBL26640337

COCCOCCS(=O)(=O)c1ccc(Nc2ncc3c(n2)CNCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.42
CDK4 P11802 3/20 0.42
CDK5 Q00535 3/20 0.41
CDK5R1 Q15078 3/20 0.41
IKBKB O14920 3/20 0.38
CCNA2 P20248 3/20 0.38
WEE1 P30291 1/20 0.38
SYK P43405 1/20 0.38
BTK Q06187 1/20 0.38
CDK1 P06493 4/20 0.37
KDR P35968 3/20 0.37
GRM5 P41594 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
CDK6 Q00534 2/20 0.35
CCNT1 O60563 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35

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
SCHEMBL26640497 0.87 CDK5 (0.39) CDK2CDK4CDK5CDK5R1IKBKB
SCHEMBL26640481 0.82 CDK5 (0.43) CDK2CDK4CDK5CDK5R1IKBKB
SCHEMBL26640552 0.81 CDK5 (0.53) CDK2CDK4CDK5CDK5R1CCNA2
SCHEMBL26640573 0.80 CDK5 (0.47) CDK2CDK5CDK5R1IKBKBCCNA2
SCHEMBL26640697 0.76 CDK5 (0.49) CDK2CDK5CDK5R1IKBKBCCNA2
SCHEMBL26640895 0.75 CDK5 (0.46) CDK2CDK5CDK5R1IKBKBCCNA2
SCHEMBL26640174 0.75 CDK5 (0.47) CDK2CDK5CDK5R1CCNA2CDK1
SCHEMBL30648724 0.74 CDK2 (0.58) CDK2CDK4CDK5CDK5R1CCNA2
SCHEMBL30648877 0.74 CDK5 (0.48) CDK2CDK4CDK5CDK5R1CCNA2
SCHEMBL26640933 0.74 CDK2 (0.58) CDK2CDK4CDK5CDK5R1CCNA2

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 5 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
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 CDK2 257/4885CDK4 352/4885CDK5 389/4885

“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.