SCHEMBL4901647

SCHEMBL4901647

CCOC(=O)N1CCN(CC(=O)Nc2ccc(C)c(Nc3nccc(-c4ccncc4)n3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.54
TSHR P16473 1/20 0.54
ABL1 P00519 16/20 0.54
BCR P11274 12/20 0.54
KIT P10721 7/20 0.52
PDGFRB P09619 5/20 0.52
PDGFRA P16234 4/20 0.50
ABL2 P42684 2/20 0.50
PLK4 O00444 1/20 0.50
DDX3X O00571 1/20 0.50
GAK O14976 1/20 0.50
SLC22A2 O15244 1/20 0.50
MAPK13 O15264 1/20 0.50
CA12 O43570 1/20 0.50
SLC22A3 O75751 1/20 0.50
ABCB11 O95342 1/20 0.50
EGFR P00533 1/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL4905299 0.92 SMN1; SMN2 (0.56) ALDH1A1LMNATSHRABL1BCR
SCHEMBL4897520 0.91 ABL1 (0.67) LMNAABL1BCRKITPDGFRB
SCHEMBL4903720 0.90 ALDH1A1 (0.60) ALDH1A1LMNAKDM4ETSHRHRH2
SCHEMBL4903153 0.89 ABL1 (0.63) LMNAABL1BCRKITPDGFRB
SCHEMBL4901676 0.88 JAK2 (0.54) ALDH1A1LMNAKDM4ETSHRABL1
SCHEMBL4892565 0.88 ABL1 (0.54) LMNAKDM4EABL1BCRKIT
SCHEMBL4903273 0.88 ALDH1A1 (0.54) ALDH1A1LMNAKDM4ETSHRABL1
SCHEMBL4900880 0.86 ABL1 (0.54) LMNAABL1BCRKITPDGFRB
SCHEMBL4892416 0.81 ABL1 (0.63) LMNAABL1BCRKITPDGFRB
SCHEMBL4901605 0.81 ABL1 (0.62) ABL1BCRPDGFRBPDGFRAABL2

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 376/4885LMNA 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.