SCHEMBL4903752

SCHEMBL4903752

CCOC(=O)C1CCN(CC(=O)Nc2ccc(Nc3nccc(-c4ccccn4)n3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.56
LMNA P02545 3/20 0.51
KDM4E B2RXH2 3/20 0.50
SYK P43405 6/20 0.48
HSD17B10 Q99714 2/20 0.47
JAK2 O60674 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 2/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
PTPN11 Q06124 1/20 0.44

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
SCHEMBL4900317 0.93 DRD2 (0.51) PTK2LMNAKDM4ESYKHSD17B10
SCHEMBL4893382 0.90 LMNA (0.50) PTK2LMNAKDM4ESYKHSD17B10
SCHEMBL4903667 0.87 PTK2 (0.53) PTK2LMNAKDM4EHSD17B10JAK2
SCHEMBL4903418 0.87 ALDH1A1 (0.59) LMNAKDM4ESYKHSD17B10JAK2
SCHEMBL4896995 0.83 JAK2 (0.60) SYKJAK2HDAC1HDAC6
SCHEMBL4900835 0.81 LMNA (0.50) PTK2LMNAKDM4ESYKHSD17B10
SCHEMBL4899494 0.81 SYK (0.57) LMNASYKJAK2HDAC1HDAC6
SCHEMBL4901373 0.80 ABL1 (0.59) LMNAKDM4ESYKALDH1A1
SCHEMBL4901650 0.80 DRD2 (0.52) SYKDRD2DRD4DRD3
SCHEMBL4900241 0.80 SYK (0.53) LMNAKDM4ESYKHSD17B10JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US claimed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP claimed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 WO claimed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US disclosed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP disclosed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 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-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP PTK2 3521/4885LMNA 1955/4885KDM4E 2352/4885

“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.