SCHEMBL785845

SCHEMBL785845

FC(F)(F)c1ccc(-c2c[nH]cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.45
MAOB P27338 2/20 0.40
KDM1A O60341 1/20 0.40
TOP1 P11387 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
GFER P55789 1/20 0.40
SCN2A Q99250 2/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
CASP1 P29466 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
COMT P21964 1/20 0.38
NOTUM Q6P988 1/20 0.38
LTA4H P09960 1/20 0.37
ALOX5 P09917 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
SCHEMBL3368288 0.90 SCN9A (0.44) KIF11TRPV1LTA4H
SCHEMBL20054187 0.81 AKT1 (0.30)
SCHEMBL6407483 0.81 KDM1A (0.39) MAOBKDM1ASCN2A
SCHEMBL4403430 0.81 KIF11 (0.44) KIF11NISCHTRPV1NOTUM
SCHEMBL311778 0.79 IDO1 (0.54) MAOBKDM1ASCN2ANOTUM
SCHEMBL30641506 0.78 NPSR1 (0.45) KIF11MAOBKDM1A
SCHEMBL464496 0.78 MAPK1 (0.40) MAOBGFERGSK3BALOX5
SCHEMBL9243197 0.77 NISCH (0.44) NISCHSCN2ANOTUMALOX5
SCHEMBL30641497 0.77 TRPV4 (0.44)
SCHEMBL443810 0.75 MAPT (0.43) GSK3BNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679439-B P70S 6 kinase inhibitors LILLY CO ELI 2013-09-11 CN disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
CN-101679439-A P70S 6 kinase inhibitors LILLY CO ELI 2010-03-24 CN disclosed
US-7288541-B2 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION (US) 2007-10-30 US disclosed
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
US-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION 2005-02-24 US disclosed
EP-1448554-A1 PROPYLCARBAMATE DERIVATIVES AS INHIBITORS OF SERINE AND CYSTEINE PROTEASES SmithKline Beecham Corporation (US) 2004-08-25 EP disclosed
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003031437-A1 PROPYLCARBAMATE DERIVATIVES AS INHIBITORS OF SERINE AND CYSTEINE PROTEASES SMITHKLINE BEECHAM CORPORATION (US) 2003-04-17 WO disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 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 (3 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-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases CTSK, CTSB, CTSS KIF11 3365/4885MAOB 2518/4885KDM1A 1014/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 KIF11 2238/4885MAOB 4586/4885KDM1A 3854/4885
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ KIF11 1955/4885MAOB 1313/4885KDM1A 297/4885

“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.