SCHEMBL2865322

SCHEMBL2865322

Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CASP1 P29466 1/20 0.37
PARP1 P09874 1/20 0.35
CYP3A4 P08684 2/20 0.35
USP14 P54578 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.33
IDO1 P14902 2/20 0.32
GAA P10253 1/20 0.32
AGXT P21549 2/20 0.32
RAB9A P51151 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
CYP11B1 P15538 1/20 0.30
SKP2 Q13309 1/20 0.30

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
SCHEMBL5454226 0.87 SKP2 (0.44) ALDH1A1TDP1CYP3A4USP14KDM4E
SCHEMBL4432103 0.84 ALDH1A1 (0.35) ALDH1A1TDP1CASP1PARP1CYP3A4
SCHEMBL1527572 0.83 IDO1 (0.42) ALDH1A1PARP1CYP3A4USP14MAPT
SCHEMBL22425843 0.83 NPC1 (0.37) PARP1USP14SMN1; SMN2IDO1GAA
SCHEMBL8115822 0.83 ALOX5AP (0.36) USP14IDO1GAA
SCHEMBL31584756 0.81 GAA (0.56) ALDH1A1TDP1PARP1CYP3A4KDM4E
SCHEMBL31371309 0.81 CYP4F2 (0.40) CASP1USP14TSHR
SCHEMBL15152700 0.81 CYP4F2 (0.40) CASP1USP14TSHR
SCHEMBL15108599 0.81 USP14 (0.34) ALDH1A1USP14NPC1
SCHEMBL5462778 0.80 USP14 (0.33) USP14

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
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
EP-2200612-B1 INHIBITORS OF JANUS KINASES SCHERING CORP (US) 2012-08-08 EP disclosed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 US disclosed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 US disclosed
EP-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP disclosed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO disclosed
US-6555541-B1 P2X7 receptor antagonists for treatment of inflammatory respiratory system disorders such as asthma; for example, 2-(3,4-Difluorophenylamino)-N-(2-methyl-5-piperazin-1-yl-methyl-phenyl) -acetamide, trihydrochloride ASTRAZENECA UK LIMITED (GB) 2003-04-29 US disclosed
EP-1185522-A1 SUBSTITUTED PHENYL COMPOUNDS WITH IMMUNOSUPPRESSING ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2002-03-13 EP disclosed
WO-2000071529-A1 SUBSTITUTED PHENYL COMPOUNDS WITH IMMUNOSUPPRESSING ACTIVITY AND PHARMACEUTICAL COMPOSITIONS ASTRAZENECA AB (SE) 2000-11-30 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 (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-20100197634-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 ALDH1A1 3244/4885TDP1 1401/4885CASP1 2016/4885

“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.