SCHEMBL4903403

SCHEMBL4903403

Cc1ccc([N+](=O)[O-])cc1Nc1nccc(-c2ccccn2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.67
BCR P11274 5/20 0.67
PRKCA P17252 5/20 0.67
ALDH1A1 P00352 1/20 0.56
PLK1 P53350 1/20 0.50
GAA P10253 1/20 0.49
CDK2 P24941 5/20 0.48
CDK4 P11802 3/20 0.48
MAPT P10636 1/20 0.47
SYK P43405 2/20 0.46
EGFR P00533 2/20 0.46
SRC P12931 1/20 0.46
CCNT1 O60563 2/20 0.45
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
CCNA2 P20248 2/20 0.45
CDK7 P50613 2/20 0.45
CDK9 P50750 2/20 0.45
CCNH P51946 2/20 0.45
AURKA O14965 1/20 0.45

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
SCHEMBL4732596 0.89 ALDH1A1 (0.59) ABL1BCRPRKCAALDH1A1PLK1
SCHEMBL4737147 0.87 ALDH1A1 (0.57) ABL1BCRPRKCAALDH1A1PLK1
SCHEMBL4263329 0.87 ALDH1A1 (0.54) ABL1BCRPRKCAALDH1A1PLK1
SCHEMBL4266615 0.85 ALDH1A1 (0.55) ABL1BCRPRKCAALDH1A1PLK1
SCHEMBL28221126 0.84 ALDH1A1 (0.68) ALDH1A1GAAMAPTL3MBTL1
SCHEMBL2573788 0.83 ABL1 (0.65) ABL1BCRPRKCAALDH1A1PLK1
SCHEMBL24885815 0.83 ALDH1A1 (0.52) ABL1BCRPRKCAALDH1A1PLK1
SCHEMBL30078120 0.83 ALDH1A1 (0.52) ABL1BCRPRKCAALDH1A1PLK1
SCHEMBL29364396 0.82 ABL1 (0.69) ABL1BCRPRKCAPLK1EGFR
SCHEMBL1550 0.82 ABL1 (0.69) ABL1BCRPRKCAPLK1EGFR

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 16 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
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
US-20060141529-A1 Compositions, kits and assays containing reagents directed to cortactin and an ARG/ABL protein kinase Life Technologies Corporation 2006-06-29 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
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 (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 1338/4885PRKCA 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
US-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP ABL1 2843/4885BCR 2315/4885PRKCA 2607/4885

“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.