SCHEMBL17286113

SCHEMBL17286113

Cn1cc(-c2ccc(NC(=O)OC(C)(C)C)cc2)c2cc(Cl)ncc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.45
▸ IDO1 P14902 1/20 0.43
▸ TDO2 P48775 1/20 0.43
▸ CYP17A1 P05093 3/20 0.42
▸ PSMB8 P28062 1/20 0.41
▸ MAPKAPK2 P49137 3/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ RORC P51449 2/20 0.40
▸ SREBF2 Q12772 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL17286122 0.83 DYRK1A (0.55) MAP4K4IDO1TDO2CYP17A1PSMB8
SCHEMBL17282296 0.75 NFATC1 (0.44) GSK3BDYRK1ASCN9A
SCHEMBL12788367 0.72 CYP17A1 (0.57) MAP4K4CYP17A1PSMB8MAPKAPK2SREBF2
SCHEMBL4301854 0.71 MAP4K4 (0.56) MAP4K4CYP17A1PSMB8MAPKAPK2SREBF2
SCHEMBL31378805 0.71 KCNQ3 (0.53) CYP17A1MAPKAPK2NAMPT
SCHEMBL535403 0.71 KCNQ3 (0.53) CYP17A1MAPKAPK2NAMPT
SCHEMBL22418461 0.70 FLT3 (0.62) MAP4K4SRC
SCHEMBL20865536 0.70 CYP17A1 (0.68) MAP4K4CYP17A1PSMB8CA12CA9
SCHEMBL23882424 0.70 PDGFRA (0.47) MAP4K4CYP17A1MAPKAPK2SREBF2NAMPT
SCHEMBL30227622 0.70 PDGFRA (0.47) MAP4K4CYP17A1MAPKAPK2SREBF2NAMPT

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-20150336948-A1 Isotopically Labeled Biaryl Urea Compounds MERCK SHARPE & DOHME CORP. 2015-11-26 — — 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-20150336948-A1 Isotopically Labeled Biaryl Urea Compounds MAPT, SLC14A1, UBTF MAP4K4 2904/4885IDO1 1939/4885TDO2 4093/4885

“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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