SCHEMBL4903418

SCHEMBL4903418

CCOC(=O)N1CCN(CC(=O)Nc2ccc(Nc3nccc(-c4ccccn4)n3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MAPT P10636 2/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
SYK P43405 11/20 0.53
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51
JAK2 O60674 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TSHR P16473 1/20 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
SCHEMBL4900241 0.92 SYK (0.53) ALDH1A1MAPTLMNAKDM4ESYK
SCHEMBL4903273 0.90 ALDH1A1 (0.54) ALDH1A1MAPTLMNAKDM4ETDP1
SCHEMBL4903752 0.87 PTK2 (0.56) ALDH1A1LMNAKDM4ESYKHPGD
SCHEMBL4896995 0.87 JAK2 (0.60) SYKJAK2HDAC1HDAC6
SCHEMBL4903720 0.86 ALDH1A1 (0.60) ALDH1A1MAPTLMNAKDM4ETDP1
SCHEMBL4899494 0.83 SYK (0.57) ALDH1A1LMNASYKJAK2HDAC1
SCHEMBL4901676 0.80 JAK2 (0.54) ALDH1A1MAPTLMNAKDM4ETDP1
SCHEMBL4900317 0.80 DRD2 (0.51) ALDH1A1LMNAKDM4ESYKHSD17B10
SCHEMBL4901605 0.79 ABL1 (0.62) SYKJAK2HDAC1HDAC6
SCHEMBL4903370 0.79 SYK (0.59) SYKJAK2HDAC1HDAC6

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 ALDH1A1 376/4885MAPT 208/4885LMNA 1955/4885

“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.