SCHEMBL4875351

SCHEMBL4875351

CC(C)c1cccc(NC(=O)Nc2ccc(-n3cnc4c(N)ncnc43)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.56
PTK2B Q14289 1/20 0.56
CA2 P00918 2/20 0.49
PI4KA P42356 7/20 0.48
PI4K2B Q8TCG2 7/20 0.48
PI4K2A Q9BTU6 7/20 0.48
PI4KB Q9UBF8 7/20 0.48
EGFR P00533 1/20 0.48
FLT3 P36888 1/20 0.47
PDGFRB P09619 2/20 0.47
KDR P35968 4/20 0.46
AURKA O14965 1/20 0.44
IKBKE Q14164 1/20 0.44
AURKB Q96GD4 1/20 0.44
TEK Q02763 3/20 0.43
EPHB4 P54760 2/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
DOT1L Q8TEK3 1/20 0.42
NTRK1 P04629 1/20 0.42

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
SCHEMBL4868939 0.83 KDR (0.61) PTK2PTK2BEGFRFLT3KDR
SCHEMBL3837276 0.82 CA2 (0.47) CA2EGFRFLT3PDGFRBKDR
SCHEMBL4865620 0.80 PTK2 (0.54) PTK2PTK2BPI4KAPI4K2BPI4K2A
SCHEMBL3530115 0.79 PTK2 (0.84) PTK2PTK2B
SCHEMBL14191791 0.78 PTK2 (0.60) PTK2PTK2BCA2PI4KAPI4K2B
SCHEMBL23869745 0.77 PI4KA (0.71) PTK2PTK2BPI4KAPI4K2BPI4K2A
Hydrochloric Acid SCHEMBL5111052 0.77 PTK2 (0.59) PTK2PTK2BCA2PI4KAPI4K2B
SCHEMBL5105069 0.77 RIPK1 (0.58) PTK2PTK2BCA2PI4KAPI4K2B
Hydrochloric Acid SCHEMBL5106721 0.76 RIPK1 (0.57) PTK2PTK2BCA2PI4KAPI4K2B
SCHEMBL14191847 0.76 PTK2 (0.56) PTK2PTK2BCA2PI4KAPI4K2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214582-A1 Purine Derivatives as Inhibitors of Receptor Tyrosine Kinase Activity MERCK PATENT GMBH (DE) 2008-09-04 US claimed

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-20080214582-A1 Purine Derivatives as Inhibitors of Receptor Tyrosine Kinase Activity TIE1, FLT1, RET PTK2 869/4885PTK2B 68/4885CA2 2798/4885

“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.