SCHEMBL4903401

SCHEMBL4903401

O=S(=O)(Nc1ccc(Nc2nccc(-c3ccncc3)n2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.67
CHUK O15111 2/20 0.66
ALDH1A1 P00352 1/20 0.59
PIK3CA P42336 2/20 0.57
PIK3CB P42338 2/20 0.57
PIK3CG P48736 2/20 0.57
MAPK8 P45983 1/20 0.56
MAPK10 P53779 1/20 0.56
HTT P42858 1/20 0.54
PLK1 P53350 1/20 0.53
CES1 P23141 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
CCNT1 O60563 1/20 0.50

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
SCHEMBL4903409 0.89 IKBKB (0.61) IKBKBCHUKALDH1A1PLK1
SCHEMBL4899549 0.89 IKBKB (0.61) IKBKBCHUKALDH1A1PIK3CAPIK3CB
SCHEMBL6027228 0.88 IKBKB (0.66) IKBKBCHUKALDH1A1MAPK8MAPK10
SCHEMBL4904242 0.85 KIT (0.56) IKBKBCHUKALDH1A1PIK3CGCCNT1
SCHEMBL4901606 0.83 IKBKB (0.57) IKBKBCHUKALDH1A1PLK1CES1
SCHEMBL3516622 0.81 IKBKB (1.00) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL4155684 0.81 IKBKB (0.59) IKBKBMAPK8MAPK10CCNT1CDK9
SCHEMBL4893321 0.79 ABL1 (0.69) IKBKBCHUKPLK1
SCHEMBL6667467 0.78 ABL1 (0.60) IKBKBCHUKPIK3CAPIK3CGMAPK8
SCHEMBL14063902 0.78 IKBKB (0.54) IKBKBCHUKPIK3CAPIK3CBPIK3CG

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 4 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

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 597/4885ALDH1A1 376/4885

“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.