SCHEMBL4900828

SCHEMBL4900828

CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nccc(-c5ccccn5)n4)c3)cc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.78
BCR P11274 8/20 0.78
PDGFRA P16234 3/20 0.78
SYK P43405 3/20 0.78
PDGFRB P09619 2/20 0.78
SRC P12931 2/20 0.78
KIT P10721 12/20 0.63
ABL2 P42684 9/20 0.63
EGFR P00533 2/20 0.63
PLK4 O00444 1/20 0.63
DDX3X O00571 1/20 0.63
GAK O14976 1/20 0.63
SLC22A2 O15244 1/20 0.63
MAPK13 O15264 1/20 0.63
CA12 O43570 1/20 0.63
SLC22A3 O75751 1/20 0.63
ABCB11 O95342 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
LMNA P02545 1/20 0.63

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
SCHEMBL4901557 0.92 ABL1 (0.66) ABL1BCRPDGFRASYKPDGFRB
SCHEMBL3988406 0.89 ABL1 (0.78) ABL1BCRPDGFRASYKPDGFRB
SCHEMBL4897571 0.88 ABL1 (0.86) ABL1BCRPDGFRASYKPDGFRB
SCHEMBL9485 0.87 ABL1 (1.00) ABL1BCRPDGFRASYKPDGFRB
SCHEMBL15202923 0.87 ABL1 (0.75) ABL1BCRPDGFRASYKPDGFRB
SCHEMBL4903179 0.85 ABL1 (0.61) ABL1BCRPDGFRASYKPDGFRB
SCHEMBL3866664 0.85 ABL1 (0.94) ABL1BCRPDGFRASYKPDGFRB
SCHEMBL8261009 0.85 ABL1 (0.94) ABL1BCRPDGFRASYKPDGFRB
SCHEMBL4903370 0.84 SYK (0.59) ABL1BCRPDGFRASYKPDGFRB
SCHEMBL4900285 0.84 ABL1 (0.76) ABL1BCRPDGFRASYKPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1721609-A2 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases GPC Biotech AG (DE) 2006-11-15 EP claimed
US-20060217404-A1 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases GPC BIOTECH FORSCHUNGSGESELLSCHAFT MBH (DE) 2006-09-28 US claimed
EP-1395261-B1 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES GPC BIOTECH AG (DE) 2006-06-28 EP claimed
US-20030176443-A1 Pyridylpyrimidine derivatives as effective compounds against prion diseases GPC BIOTECH FORSCHUNGSGESELLSCHAFT MBH (DE) 2003-09-18 US 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
EP-1721609-A2 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases GPC Biotech AG (DE) 2006-11-15 EP disclosed
US-20060217404-A1 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases GPC BIOTECH FORSCHUNGSGESELLSCHAFT MBH (DE) 2006-09-28 US disclosed
EP-1395261-B1 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES GPC BIOTECH AG (DE) 2006-06-28 EP disclosed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 WO disclosed
US-20030176443-A1 Pyridylpyrimidine derivatives as effective compounds against prion diseases GPC BIOTECH FORSCHUNGSGESELLSCHAFT MBH (DE) 2003-09-18 US 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 (3 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-20030176443-A1 Pyridylpyrimidine derivatives as effective compounds against prion diseases PRNP, PPM1D, PPM1F ABL1 901/4885BCR 1338/4885PDGFRA 2586/4885
US-20060217404-A1 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases PRNP, PPM1D, PPM1F ABL1 904/4885BCR 1230/4885PDGFRA 2913/4885
US-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP ABL1 2843/4885BCR 2315/4885PDGFRA 373/4885

“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.