SCHEMBL4892610

SCHEMBL4892610

O=C(S)c1ccc2cccnc2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.71
LMNA P02545 2/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
ALDH1A1 P00352 3/20 0.49
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GMNN O75496 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
MMP8 P22894 1/20 0.39
CCR1 P32246 1/20 0.39
THPO P40225 1/20 0.39

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
SCHEMBL6529041 0.85 KDM4E (0.76) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL30505600 0.83 KDM4E (1.00) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL125654 0.83 KDM4E (1.00) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL2887500 0.83 KDM4E (0.73) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL30381290 0.83 KDM4E (1.00) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL123373 0.81 KDM4E (0.71) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL30576393 0.81 KDM4E (0.71) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL2885538 0.81 KDM4E (0.71) KDM4ELMNAMEN1KMT2AALDH1A1
Fluoride SCHEMBL28821496 0.81 KDM4E (0.96) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL566150 0.81 KDM4E (0.71) KDM4ELMNAMEN1KMT2AALDH1A1

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
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US claimed
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
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
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-20060217404-A1 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases PRNP, PPM1D, PPM1F KDM4E 753/4885LMNA 3102/4885MEN1 4219/4885
US-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP KDM4E 2352/4885LMNA 1955/4885MEN1 3644/4885

“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.