SCHEMBL26640481

SCHEMBL26640481

COCCS(=O)(=O)Cc1ccc(Nc2ncc3c(n2)CNCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 6/20 0.43
CDK5R1 Q15078 6/20 0.43
CDK2 P24941 4/20 0.42
CCNA2 P20248 3/20 0.42
GRM5 P41594 1/20 0.40
IKBKB O14920 2/20 0.38
WEE1 P30291 1/20 0.38
BTK Q06187 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNE1 P24864 1/20 0.37
CCND3 P30281 1/20 0.37
FLT3 P36888 1/20 0.37
CDK9 P50750 1/20 0.37
CDK6 Q00534 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
STAT1 P42224 1/20 0.37
RAB9A P51151 1/20 0.37

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 0.95 CDK5 (0.39) CDK5CDK5R1CDK2CCNA2GRM5
SCHEMBL26640535 0.87 CDK5 (0.42) CDK5CDK5R1CDK2CCNA2GRM5
SCHEMBL26640174 0.86 CDK5 (0.47) CDK5CDK5R1CDK2CCNA2GRM5
SCHEMBL26640389 0.83 CDK5 (0.45) CDK5CDK5R1CDK2CCNA2GRM5
SCHEMBL30648643 0.83 CDK5 (0.45) CDK5CDK5R1CDK2CCNA2GRM5
SCHEMBL26640337 0.82 CDK2 (0.42) CDK5CDK5R1CDK2CCNA2GRM5
SCHEMBL26640895 0.82 CDK5 (0.46) CDK5CDK5R1CDK2CCNA2GRM5
SCHEMBL26640552 0.81 CDK5 (0.53) CDK5CDK5R1CDK2CCNA2GRM5
SCHEMBL26640721 0.81 MLNR (0.43) WEE1BTKFLT3MLNRCYP2D6
SCHEMBL26640758 0.81 CDK5 (0.40) CDK5CDK5R1CDK2CCNA2GRM5

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 CDK5 389/4885CDK5R1 435/4885CDK2 257/4885

“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.