SCHEMBL4902208

SCHEMBL4902208

Nc1cccc(Nc2nccc(-c3ccc(-n4ccnc4)cc3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.67
BCR P11274 4/20 0.67
SRC P12931 4/20 0.67
PRKCA P17252 2/20 0.66
PRKCD Q05655 2/20 0.66
PDGFRB P09619 1/20 0.66
PDGFRA P16234 1/20 0.66
IKBKB O14920 2/20 0.64
EGFR P00533 2/20 0.61
PRKACA P17612 1/20 0.61
PRKACG P22612 1/20 0.61
PRKACB P22694 1/20 0.61
CDK5 Q00535 2/20 0.61
CAMK2D Q13557 1/20 0.55
JAK2 O60674 3/20 0.53
PLK1 P53350 1/20 0.53
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 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
SCHEMBL4902560 0.92 ABL1 (0.72) ABL1BCRSRCPRKCAPRKCD
SCHEMBL4903199 0.88 IKBKB (0.64) ABL1BCRSRCPRKCAPRKCD
SCHEMBL4902199 0.85 ABL1 (0.63) ABL1BCRSRCPRKCAPRKCD
SCHEMBL7463426 0.83 ABL1 (0.80) ABL1BCRSRCPRKCAPRKCD
SCHEMBL4905227 0.83 ABL1 (0.70) ABL1BCRSRCPRKCAPRKCD
SCHEMBL2944432 0.82 ABL1 (0.82) ABL1BCRSRCIKBKBEGFR
SCHEMBL7462511 0.81 IKBKB (0.64) ABL1BCRSRCPRKCAPRKCD
SCHEMBL1789 0.81 ABL1 (1.00) ABL1BCRSRCPRKCAPRKCD
SCHEMBL4893357 0.81 ABL1 (0.61) ABL1BCRSRCPRKCAPRKCD
SCHEMBL4386919 0.80 ABL1 (0.82) ABL1BCRSRCPRKCAPRKCD

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 ABL1 2843/4885BCR 2315/4885SRC 3368/4885

“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.