SCHEMBL26640969

SCHEMBL26640969

CS(=O)(=O)Cc1ccc(Nc2ncc3c(n2)CNCC3)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.40
WEE1 P30291 7/20 0.39
BTK Q06187 2/20 0.39
GRM5 P41594 1/20 0.39
CDK5 Q00535 4/20 0.39
CDK5R1 Q15078 4/20 0.39
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CDK6 Q00534 2/20 0.39
CCNT1 O60563 1/20 0.39
CCNE1 P24864 1/20 0.39
CCND3 P30281 1/20 0.39
FLT3 P36888 1/20 0.39
CDK9 P50750 1/20 0.39
AXL P30530 3/20 0.39
TYRO3 Q06418 3/20 0.39
MERTK Q12866 3/20 0.39
PKMYT1 Q99640 3/20 0.38

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
SCHEMBL30648748 1.00 PTK2 (0.40) PTK2WEE1BTKGRM5CDK5
SCHEMBL26640884 0.89 CDK5 (0.41) PTK2WEE1BTKCDK5CDK5R1
SCHEMBL30648634 0.85 WEE1 (0.36) PTK2WEE1CDK5CDK5R1CCNA2
SCHEMBL26640476 0.85 WEE1 (0.36) PTK2WEE1CDK5CDK5R1CCNA2
SCHEMBL26813333 0.85 PTK2 (0.42) PTK2WEE1BTKGRM5CDK5
SCHEMBL26640174 0.83 CDK5 (0.47) GRM5CDK5CDK5R1CCNA2CDK2
SCHEMBL26640576 0.83 CDK5 (0.54) BTKGRM5CDK5CDK5R1CCNA2
SCHEMBL30648740 0.83 CDK5 (0.54) BTKGRM5CDK5CDK5R1CCNA2
SCHEMBL26640504 0.82 CDK5 (0.40) WEE1BTKGRM5CDK5CDK5R1
SCHEMBL26640784 0.82 MAP4K1 (0.45) WEE1BTKGRM5CDK5CDK5R1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTK2 1166/4885WEE1 465/4885BTK 3471/4885

“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.