SCHEMBL4903199

SCHEMBL4903199

Nc1ccc(Nc2nccc(-c3ccc(-n4ccnc4)cc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.64
ABL1 P00519 2/20 0.56
BCR P11274 2/20 0.56
SRC P12931 2/20 0.56
PDGFRB P09619 1/20 0.56
PDGFRA P16234 1/20 0.56
PRKCA P17252 1/20 0.56
PRKCD Q05655 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
MAPK10 P53779 2/20 0.52
ACVR1 Q04771 1/20 0.52
JAK2 O60674 5/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47

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
SCHEMBL7462511 0.89 IKBKB (0.64) IKBKBABL1BCRSRCPDGFRB
SCHEMBL4902208 0.88 ABL1 (0.67) IKBKBABL1BCRSRCPDGFRB
SCHEMBL4902560 0.85 ABL1 (0.72) IKBKBABL1BCRSRCPDGFRB
SCHEMBL4899264 0.85 JAK2 (0.66) IKBKBABL1BCRSRCPDGFRB
SCHEMBL4893357 0.83 ABL1 (0.61) IKBKBABL1BCRSRCPDGFRB
SCHEMBL7464672 0.83 ABL1 (0.79) IKBKBABL1BCRSRCPDGFRB
SCHEMBL3756287 0.83 MAPK8 (0.69) IKBKBABL1BCRSRCPDGFRB
SCHEMBL8057065 0.83 IKBKB (0.61) IKBKBABL1BCRSRCPDGFRB
SCHEMBL14088822 0.81 IKBKB (0.57) IKBKBABL1BCRSRCPDGFRB
SCHEMBL4903317 0.80 ABL1 (0.70) IKBKBABL1BCRSRCPRKCA

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 875/4885ABL1 2843/4885BCR 2315/4885

“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.