SCHEMBL4901211

SCHEMBL4901211

COc1ccc(-c2ccnc(Nc3cccc(N)c3)n2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.75
MEN1 O00255 1/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
KMT2A Q03164 1/20 0.65
CDK5R1 Q15078 1/20 0.65
ABL1 P00519 2/20 0.65
BCR P11274 2/20 0.65
SRC P12931 2/20 0.65
EGFR P00533 2/20 0.62
PRKACA P17612 1/20 0.62
PRKACG P22612 1/20 0.62
PRKACB P22694 1/20 0.62
CAMK2D Q13557 1/20 0.61
JAK2 O60674 3/20 0.60
FLT3 P36888 1/20 0.60
PIK3CG P48736 6/20 0.59
PIK3CA P42336 5/20 0.59
PIK3CB P42338 4/20 0.59
PLK1 P53350 1/20 0.56

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
SCHEMBL12801118 0.92 CDK5 (0.73) CDK5MEN1NPC1RAB9AKMT2A
SCHEMBL4903233 0.92 JAK2 (0.65) CDK5MEN1NPC1RAB9AKMT2A
SCHEMBL12274536 0.87 CDK5 (0.67) CDK5MEN1NPC1RAB9AKMT2A
SCHEMBL4901089 0.87 MEN1 (0.62) CDK5MEN1NPC1RAB9AKMT2A
SCHEMBL14088787 0.87 JAK2 (0.59) CDK5MEN1NPC1RAB9AKMT2A
SCHEMBL4903189 0.84 PIK3CG (0.61) CDK5ABL1BCRSRCJAK2
SCHEMBL823915 0.84 CAMK2D (0.82) CDK5MEN1NPC1RAB9AKMT2A
SCHEMBL12801541 0.83 JAK2 (0.56) CDK5MEN1NPC1RAB9AKMT2A
SCHEMBL12801092 0.83 CDK5 (0.71) CDK5MEN1NPC1RAB9AKMT2A
SCHEMBL15534241 0.83 CLK1 (0.63) CDK5ABL1BCRJAK2FLT3

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 CDK5 89/4885MEN1 3644/4885NPC1 1001/4885

“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.