SCHEMBL14066379

SCHEMBL14066379

CC(C)(C)OC(=O)Nc1ccc(-n2cnc3c(N)ncnc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 10/20 0.58
▸ PI4K2B Q8TCG2 10/20 0.58
▸ PI4K2A Q9BTU6 10/20 0.58
▸ PI4KB Q9UBF8 10/20 0.58
▸ PTK2 Q05397 1/20 0.57
▸ PTK2B Q14289 1/20 0.57
▸ MAP4K4 O95819 1/20 0.52
▸ EGFR P00533 1/20 0.51
▸ GPR119 Q8TDV5 1/20 0.44
▸ LCK P06239 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ LYN P07948 1/20 0.43
▸ HCK P08631 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ FRK P42685 1/20 0.43
▸ BLK P51451 1/20 0.43
▸ PTK6 Q13882 1/20 0.43
▸ CHKA P35790 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43

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
SCHEMBL25882848 0.84 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBPTK2
SCHEMBL29010473 0.83 PI4KB (0.54) PI4KAPI4K2BPI4K2API4KBPTK2
SCHEMBL25883349 0.83 PI4KB (0.54) PI4KAPI4K2BPI4K2API4KBPTK2
SCHEMBL14066381 0.81 MAP4K4 (0.41) PTK2PTK2BMAP4K4MAPKAPK2
SCHEMBL14191791 0.76 PTK2 (0.60) PI4KAPI4K2BPI4K2API4KBPTK2
SCHEMBL13499151 0.76 MAP4K4 (0.44) MAP4K4MAPKAPK2
SCHEMBL4875436 0.76 PTK2 (0.62) PTK2PTK2B
SCHEMBL29010471 0.75 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBPTK2
Hydrochloric Acid SCHEMBL5111052 0.75 PTK2 (0.59) PI4KAPI4K2BPI4K2API4KBPTK2
SCHEMBL5113125 0.75 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBPTK2

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 2 patents. 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 disclosed
US-20080214582-A1 Purine Derivatives as Inhibitors of Receptor Tyrosine Kinase Activity MERCK PATENT GMBH (DE) 2008-09-04 — — 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-20080214582-A1 Purine Derivatives as Inhibitors of Receptor Tyrosine Kinase Activity TIE1, FLT1, RET PI4KA 457/4885PI4K2B 620/4885PI4K2A 787/4885

“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.

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