SCHEMBL5740498

SCHEMBL5740498

O=S(=O)(Nc1cccc(Nc2nccc(-c3ccccn3)n2)c1)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.57
BCR P11274 1/20 0.57
PRKCA P17252 1/20 0.57
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SYK P43405 11/20 0.54
DKK1 O94907 1/20 0.51
GSK3B P49841 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GLO1 Q04760 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
F2 P00734 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
AKR1C3 P42330 1/20 0.46
PKM P14618 1/20 0.46
PKLR P30613 1/20 0.46

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
SCHEMBL4905854 0.87 ABL1 (0.57) ABL1BCRPRKCASYKMEN1
SCHEMBL4905681 0.87 ABL1 (0.57) ABL1BCRPRKCASMN1; SMN2SYK
SCHEMBL4902412 0.87 ABL1 (0.57) ABL1BCRPRKCASMN1; SMN2SYK
SCHEMBL5741305 0.80 ABL1 (0.51) ABL1BCRPRKCASMN1; SMN2SYK
SCHEMBL7464681 0.78 CDK1 (0.61) ABL1BCRPRKCASYK
SCHEMBL4901606 0.77 IKBKB (0.57) ABL1BCRPRKCASMN1; SMN2SYK
SCHEMBL6041185 0.76 CYP19A1 (0.58) ABL1BCRPRKCASMN1; SMN2SYK
SCHEMBL9479802 0.75 SMN1; SMN2 (0.69) HTTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL5777331 0.75 ABL1 (0.53) ABL1BCRPRKCASYK
SCHEMBL6667467 0.75 ABL1 (0.60) ABL1BCRPRKCASYKGSK3B

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 12 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
EP-1395261-A2 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-03-10 EP claimed
US-20030176443-A1 Pyridylpyrimidine derivatives as effective compounds against prion diseases GPC BIOTECH FORSCHUNGSGESELLSCHAFT MBH (DE) 2003-09-18 US claimed
WO-2002093164-A2 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-21 WO claimed
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
EP-1395261-A2 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-03-10 EP disclosed
US-20030176443-A1 Pyridylpyrimidine derivatives as effective compounds against prion diseases GPC BIOTECH FORSCHUNGSGESELLSCHAFT MBH (DE) 2003-09-18 US disclosed
WO-2002093164-A2 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-21 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 (2 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 1338/4885PRKCA 138/4885
US-20060217404-A1 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases PRNP, PPM1D, PPM1F ABL1 904/4885BCR 1230/4885PRKCA 121/4885

“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.