SCHEMBL26640314

SCHEMBL26640314

c1cc(CN2CCOCC2)cc(Nc2ncc3c(n2)CNCC3)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.54
KDR P35968 1/20 0.54
MARK3 P27448 3/20 0.51
MARK4 Q96L34 3/20 0.51
STK17A Q9UEE5 3/20 0.51
NUAK1 O60285 3/20 0.50
SIK2 Q9H0K1 2/20 0.50
ACVR1 Q04771 2/20 0.50
PLK4 O00444 1/20 0.50
BMPR1B O00238 1/20 0.50
TBK1 Q9UHD2 5/20 0.49
NTRK1 P04629 2/20 0.49
CSF1R P07333 2/20 0.49
TYK2 P29597 2/20 0.49
STK16 O75716 1/20 0.49
CSNK2A2 P19784 1/20 0.49
AAK1 Q2M2I8 1/20 0.49
ULK3 Q6PHR2 1/20 0.49
BMP2K Q9NSY1 1/20 0.49
CDK2 P24941 2/20 0.49

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
SCHEMBL30648664 1.00 CDK1 (0.54) CDK1KDRMARK3MARK4STK17A
SCHEMBL26640668 0.89 PLK1 (0.53) CDK1TBK1CDK2AURKACDK5
SCHEMBL30648695 0.89 PLK1 (0.53) CDK1TBK1CDK2AURKACDK5
SCHEMBL26640962 0.88 AURKA (0.50) PLK4CDK2AURKACCNA2CCNA1
SCHEMBL26640849 0.80 CDK5 (0.48) CDK1CDK2CDK5CDK5R1CCNA2
SCHEMBL30648678 0.80 CDK5 (0.48) CDK1CDK2CDK5CDK5R1CCNA2
SCHEMBL30648712 0.79 CDK5 (0.55) CDK1KDRCDK2AURKACDK5
SCHEMBL26640527 0.79 CDK5 (0.55) CDK1KDRCDK2AURKACDK5
SCHEMBL26640771 0.79 GRM5 (0.50) CDK1KDRPLK4CDK2CDK5
SCHEMBL30648740 0.78 CDK5 (0.54) CDK1KDRCDK2CDK5CDK5R1

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 CDK1 248/4885KDR 3071/4885MARK3 434/4885

“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.