SCHEMBL16508295

SCHEMBL16508295

CCc1cc(-c2ccc[nH]c2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc2c1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
MAPK10 P53779 10/20 0.43
DYRK1B Q9Y463 2/20 0.43
PIP4K2A P48426 2/20 0.43
PIP4K2B P78356 2/20 0.43
PIP4K2C Q8TBX8 1/20 0.43
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK2 Q92630 1/20 0.43
TNIK Q9UKE5 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
FYN P06241 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVR1 Q04771 1/20 0.37

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
SCHEMBL1702764 0.87 CYP3A4 (0.57) CYP3A4MAPK10DYRK1BPIP4K2APIP4K2B
SCHEMBL16508263 0.86 SGK1 (0.39) CYP3A4TNIKFYN
SCHEMBL16508299 0.86 CYP3A4 (0.49) CYP3A4PIP4K2APIP4K2BPIP4K2CPIK3CD
SCHEMBL16508262 0.86 DYRK1B (0.41) MAPK10DYRK1BCLK1DYRK1ADYRK2
SCHEMBL2450318 0.85 CYP3A4 (0.51) CYP3A4MAPK10DYRK1BPIP4K2APIP4K2B
SCHEMBL16508264 0.84 CYP3A4 (0.49) CYP3A4MAPK10DYRK1BPIP4K2APIP4K2B
SCHEMBL16508268 0.83 MAPK10 (0.40) CYP3A4MAPK10DYRK1BCLK1DYRK1A
SCHEMBL16508270 0.83 MAP3K11 (0.42) CYP3A4TNIKPIK3CG
SCHEMBL15188916 0.81 CYP3A4 (0.49) CYP3A4PIP4K2APIP4K2BPIP4K2C
SCHEMBL16508297 0.78 CYP3A4 (0.35) CYP3A4DYRK1BDYRK1A

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-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-12-08 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-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, ZC3HAV1, IRF3 CYP3A4 55/4885MAPK10 3489/4885DYRK1B 4541/4885

“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.