SCHEMBL4901606

SCHEMBL4901606

O=S(=O)(Nc1ccc(Nc2nccc(-c3ccccn3)n2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.57
CHUK O15111 2/20 0.56
CCNT1 O60563 2/20 0.52
CDK9 P50750 2/20 0.52
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CES1 P23141 1/20 0.50
SYK P43405 4/20 0.49
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
PRKCA P17252 1/20 0.49
PLK1 P53350 1/20 0.49

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
SCHEMBL4905681 0.90 ABL1 (0.57) IKBKBCHUKCCNT1CDK9KDM4E
SCHEMBL4899549 0.83 IKBKB (0.61) IKBKBCHUKALDH1A1SYKABL1
SCHEMBL4903401 0.83 IKBKB (0.67) IKBKBCHUKCCNT1CDK9ALDH1A1
SCHEMBL7469285 0.81 IKBKB (0.74) IKBKBCCNT1CDK9
SCHEMBL4902412 0.79 ABL1 (0.57) IKBKBLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL4905854 0.79 ABL1 (0.57) CCNT1CDK9KDM4ELMNAALDH1A1
SCHEMBL6041185 0.79 CYP19A1 (0.58) IKBKBCHUKCCNT1CDK9KDM4E
SCHEMBL4899326 0.77 PDGFRB (0.56) KDM4ESYKABL1BCRPRKCA
SCHEMBL5740498 0.77 ABL1 (0.57) LMNAMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4902265 0.77 ALDH1A1 (0.53) IKBKBLMNAALDH1A1SMN1; SMN2SYK

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 6 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-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP claimed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 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
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 (1 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-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP IKBKB 875/4885CHUK 597/4885CCNT1 710/4885

“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.