SCHEMBL26640933

SCHEMBL26640933

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.58
CDK4 P11802 2/20 0.58
CCND1 P24385 2/20 0.58
CCNE1 P24864 2/20 0.58
CCNT1 O60563 1/20 0.58
CDK1 P06493 1/20 0.58
CCNB1 P14635 1/20 0.58
CDK7 P50613 1/20 0.58
CDK9 P50750 1/20 0.58
CCNH P51946 1/20 0.58
CDK5 Q00535 3/20 0.48
CDK5R1 Q15078 3/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CCNA2 P20248 5/20 0.45
HTR2C P28335 1/20 0.43
AURKA O14965 1/20 0.43

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
SCHEMBL30648724 1.00 CDK2 (0.58) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL26640717 0.86 CDK5 (0.48) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL30648877 0.86 CDK5 (0.48) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL26640574 0.86 CDK2 (0.46) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL26640913 0.84 CDK5 (0.46) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL30648761 0.84 CDK5 (0.46) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL26640775 0.82 CDK2 (0.48) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL26640397 0.80 CDK5 (0.47) CDK2CDK5CDK5R1CCNA2HTR2C
SCHEMBL2793592 0.79 CDK2 (0.48) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL26640573 0.79 CDK5 (0.47) CDK2CCNE1CCNT1CDK1CCNB1

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 CDK2 257/4885CDK4 352/4885CCND1 1381/4885

“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.