SCHEMBL4903409

SCHEMBL4903409

O=S(=O)(Nc1cccc(Nc2nccc(-c3ccncc3)n2)c1)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.61
CHUK O15111 2/20 0.61
ABL1 P00519 6/20 0.57
BCR P11274 6/20 0.57
PRKCA P17252 5/20 0.57
SRC P12931 3/20 0.57
CYP19A1 P11511 1/20 0.55
PRKCD Q05655 2/20 0.55
SYK P43405 1/20 0.55
PLK1 P53350 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CAMK2D Q13557 2/20 0.51
F2 P00734 1/20 0.50
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
PAX8 Q06710 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4893321 0.91 ABL1 (0.69) IKBKBCHUKABL1BCRPRKCA
SCHEMBL6667467 0.90 ABL1 (0.60) IKBKBCHUKABL1BCRPRKCA
SCHEMBL4903401 0.89 IKBKB (0.67) IKBKBCHUKPLK1ALDH1A1
SCHEMBL6041185 0.87 CYP19A1 (0.58) IKBKBCHUKABL1BCRPRKCA
SCHEMBL4905681 0.85 ABL1 (0.57) IKBKBCHUKABL1BCRPRKCA
SCHEMBL4904242 0.84 KIT (0.56) IKBKBCHUKABL1BCRPRKCA
SCHEMBL4899549 0.81 IKBKB (0.61) IKBKBCHUKABL1BCRPRKCA
SCHEMBL4899574 0.80 ABL1 (0.76) ABL1BCRPRKCASRCPRKCD
SCHEMBL4897551 0.80 ABL1 (0.69) IKBKBABL1BCRPRKCASRC
SCHEMBL5777773 0.79 ABL1 (0.57) ABL1BCRPRKCASRCPRKCD

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 IKBKB 717/4885CHUK 293/4885ABL1 901/4885
US-20060217404-A1 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases PRNP, PPM1D, PPM1F IKBKB 651/4885CHUK 296/4885ABL1 904/4885
US-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP IKBKB 875/4885CHUK 597/4885ABL1 2843/4885

“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.