SCHEMBL4901165

SCHEMBL4901165

COc1ccc(-c2ccnc(Nc3cc(N)ccc3C)n2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.62
BCR P11274 3/20 0.62
LCK P06239 1/20 0.52
CAMKK2 Q96RR4 5/20 0.50
PIK3CG P48736 5/20 0.50
MAPK8 P45983 3/20 0.49
DYRK1A Q13627 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
CDK5 Q00535 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
CDK5R1 Q15078 1/20 0.49
PIK3CA P42336 2/20 0.47
PIK3CB P42338 2/20 0.47
PRKCA P17252 2/20 0.46
HDAC1 Q13547 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46

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
SCHEMBL4901153 0.85 CAMKK2 (0.65) ABL1BCRLCKCAMKK2PIK3CG
SCHEMBL4901089 0.83 MEN1 (0.62) LCKPIK3CGDYRK1ACLK4CDK5
SCHEMBL4903542 0.82 PIK3CG (0.54) ABL1BCRCAMKK2PIK3CGMAPK8
SCHEMBL4897612 0.82 JAK2 (0.56) LCKPIK3CGDYRK1ACLK4CDK5
SCHEMBL2580846 0.81 ABL1 (0.74) ABL1BCRLCKCAMKK2PIK3CG
SCHEMBL7601457 0.81 ABL1 (0.78) ABL1BCRLCKCAMKK2PIK3CG
SCHEMBL4901211 0.81 CDK5 (0.75) ABL1BCRLCKPIK3CGDYRK1A
SCHEMBL4786484 0.80 ABL1 (0.77) ABL1BCRLCKCAMKK2PIK3CG
SCHEMBL3099819 0.80 ABL1 (0.69) ABL1BCRLCKCAMKK2PIK3CG
Hydrochloric Acid SCHEMBL5205211 0.80 ABL1 (0.76) ABL1BCRLCKCAMKK2PIK3CG

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 2315/4885LCK 328/4885

“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.