SCHEMBL26640552

SCHEMBL26640552

COCCOc1ccc(Nc2ncc3c(n2)CNCC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.53
CDK5R1 Q15078 4/20 0.53
BTK Q06187 4/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
CCND2 P30279 1/20 0.49
CCND3 P30281 1/20 0.49
BRAF P15056 1/20 0.47
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
GRM5 P41594 2/20 0.43
EGFR P00533 5/20 0.42
ITK Q08881 2/20 0.42
SYK P43405 1/20 0.40
JAK2 O60674 1/20 0.40
LYN P07948 1/20 0.40
TEC P42680 1/20 0.40
TXK P42681 1/20 0.40
BMX P51813 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL26640697 0.83 CDK5 (0.49) CDK5CDK5R1CCND3CCNA2CDK2
SCHEMBL26640481 0.81 CDK5 (0.43) CDK5CDK5R1BTKCDK4CCND3
SCHEMBL26640337 0.81 CDK2 (0.42) CDK5CDK5R1BTKCDK4CCND3
SCHEMBL26639995 0.81 AXL (0.51) CCNA2CDK2EGFRSYKJAK2
SCHEMBL26640644 0.80 EGFR (0.43) BTKCDK4CCND1CDK2EGFR
SCHEMBL30648877 0.79 CDK5 (0.48) CDK5CDK5R1CDK4CCND1CCNA2
SCHEMBL26640933 0.79 CDK2 (0.58) CDK5CDK5R1CDK4CCND1CCND3
SCHEMBL26640717 0.79 CDK5 (0.48) CDK5CDK5R1CDK4CCND1CCNA2
SCHEMBL30648724 0.79 CDK2 (0.58) CDK5CDK5R1CDK4CCND1CCND3
SCHEMBL30648761 0.78 CDK5 (0.46) CDK5CDK5R1CDK4CCND1CCNA2

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 CDK5 389/4885CDK5R1 435/4885BTK 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.