SCHEMBL4892544

SCHEMBL4892544

Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.69
ABL1 P00519 13/20 0.69
BCR P11274 11/20 0.69
PDGFRA P16234 8/20 0.69
PDGFRB P09619 5/20 0.69
PRKCA P17252 2/20 0.67
EGFR P00533 2/20 0.59
JAK3 P52333 1/20 0.59
BTK Q06187 1/20 0.59
ITK Q08881 1/20 0.59
KDR P35968 1/20 0.57
BRAF P15056 1/20 0.57
MAPK14 Q16539 1/20 0.57

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
SCHEMBL4903706 0.93 PRKCA (0.70) KITABL1BCRPDGFRAPDGFRB
SCHEMBL4904242 0.90 KIT (0.56) KITABL1BCRPDGFRAPDGFRB
SCHEMBL5778115 0.87 ABL1 (0.67) KITABL1BCRPDGFRAPDGFRB
SCHEMBL4899549 0.87 IKBKB (0.61) KITABL1BCRPDGFRAPDGFRB
SCHEMBL4893321 0.86 ABL1 (0.69) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL6041141 0.85 KIT (0.51) KITABL1BCRPDGFRAPDGFRB
SCHEMBL4375845 0.82 ABL1 (0.69) KITABL1BCRPDGFRAPDGFRB
SCHEMBL11927802 0.82 KIT (1.00) KITABL1BCRPDGFRAPDGFRB
SCHEMBL9677 0.81 PDGFRA (1.00) KITABL1BCRPDGFRAPDGFRB
SCHEMBL5773567 0.81 PRKCA (0.64) KITABL1BCRPDGFRAPDGFRB

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 10 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

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 KIT 4548/4885ABL1 901/4885BCR 1338/4885
US-20060217404-A1 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases PRNP, PPM1D, PPM1F KIT 4607/4885ABL1 904/4885BCR 1230/4885
US-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP KIT 969/4885ABL1 2843/4885BCR 2315/4885

“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.