SCHEMBL26640697

SCHEMBL26640697

CS(=O)(=O)COc1ccc(Nc2ncc3c(n2)CNCC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 5/20 0.49
CDK5R1 Q15078 5/20 0.49
CCNA2 P20248 3/20 0.44
CDK2 P24941 3/20 0.44
GRM5 P41594 3/20 0.41
IKBKB O14920 1/20 0.41
HTR2C P28335 1/20 0.39
KDR P35968 5/20 0.39
PDGFRB P09619 1/20 0.39
PLK1 P53350 2/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL26640174 0.86 CDK5 (0.47) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL26640573 0.84 CDK5 (0.47) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL26640895 0.84 CDK5 (0.46) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL26640552 0.83 CDK5 (0.53) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL26640784 0.82 MAP4K1 (0.45) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL26640852 0.81 CDK5 (0.44) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL26640915 0.80 CDK2 (0.44) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL26640884 0.79 CDK5 (0.41) CDK5CDK5R1CCNA2CDK2CCNT1
SCHEMBL30648643 0.79 CDK5 (0.45) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL26640389 0.79 CDK5 (0.45) CDK5CDK5R1CCNA2CDK2GRM5

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 435/4885CCNA2 2658/4885

“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.