SCHEMBL4901089

SCHEMBL4901089

COc1ccc(-c2ccnc(Nc3ccc(N)cc3)n2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
CDK5 Q00535 2/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
CDK5R1 Q15078 1/20 0.62
JAK2 O60674 4/20 0.60
JAK3 P52333 1/20 0.57
IKBKB O14920 4/20 0.56
FLT3 P36888 1/20 0.54
PIK3CA P42336 4/20 0.54
PIK3CB P42338 4/20 0.54
PIK3CG P48736 4/20 0.54
CDK2 P24941 3/20 0.54
EGFR P00533 1/20 0.54
PTK2B Q14289 1/20 0.54
PLK1 P53350 1/20 0.53
DYRK1A Q13627 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
CDK4 P11802 2/20 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
SCHEMBL12801713 0.91 CDK5 (0.61) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL17310488 0.88 MAPK8 (0.55) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL4737479 0.88 PLK1 (0.61) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL14088787 0.87 JAK2 (0.59) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL4901211 0.87 CDK5 (0.75) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL12801541 0.86 JAK2 (0.56) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL1667153 0.86 MEN1 (0.56) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL27898107 0.86 MEN1 (0.56) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL4897612 0.86 JAK2 (0.56) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL4903233 0.85 JAK2 (0.65) MEN1KMT2ACDK5NPC1RAB9A

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 MEN1 3644/4885KMT2A 3738/4885CDK5 89/4885

“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.