SCHEMBL871116

SCHEMBL871116

CC(C)CS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.85
JAK2 O60674 19/20 0.85
JAK3 P52333 15/20 0.85
TYK2 P29597 2/20 0.85
CIT O14578 1/20 0.85
GAK O14976 1/20 0.85
ROCK2 O75116 1/20 0.85
ULK1 O75385 1/20 0.85
PRKCB P05771 1/20 0.85
RET P07949 1/20 0.85
PRKCA P17252 1/20 0.85
PRKACA P17612 1/20 0.85
MARK3 P27448 1/20 0.85
STAT3 P40763 1/20 0.85
CLK1 P49759 1/20 0.85
CSNK1G2 P78368 1/20 0.85
PRKCD Q05655 1/20 0.85
MAP3K1 Q13233 1/20 0.85
ROCK1 Q13464 1/20 0.85
TNK1 Q13470 1/20 0.85

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
SCHEMBL18857166 0.93 JAK1 (0.85) JAK1JAK2JAK3TYK2CIT
Baricitinib SCHEMBL29349824 0.92 JAK1 (1.00) JAK1JAK2JAK3TYK2CIT
Baricitinib SCHEMBL871150 0.92 JAK1 (1.00) JAK1JAK2JAK3TYK2CIT
Baricitinib SCHEMBL20135563 0.91 JAK1 (0.98) JAK1JAK2JAK3TYK2CIT
Baricitinib SCHEMBL20135561 0.91 JAK1 (0.98) JAK1JAK2JAK3TYK2CIT
Baricitinib SCHEMBL20135562 0.90 JAK1 (0.95) JAK1JAK2JAK3TYK2CIT
SCHEMBL871193 0.90 JAK1 (0.84) JAK1JAK2JAK3TYK2CIT
Baricitinib SCHEMBL20135659 0.90 JAK1 (0.95) JAK1JAK2JAK3TYK2CIT
SCHEMBL872210 0.89 JAK1 (0.90) JAK1JAK2JAK3TYK2CIT
Baricitinib SCHEMBL20135651 0.89 JAK1 (0.93) JAK1JAK2JAK3TYK2CIT

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-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-03-29 US claimed
EP-2288610-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS Incyte Corporation (US) 2011-03-02 EP claimed
WO-2009114512-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 WO claimed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 US claimed
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2020-03-26 US disclosed
US-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2017-03-30 US disclosed
EP-3042655-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES Incyte Holdings Corporation (US) 2016-07-13 EP disclosed
US-8420629-B2 Azetidine and cyclobutane derivatives as JAK inhibitors INCYTE CORPORATION (US) 2013-04-16 US disclosed
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2012-11-29 US disclosed
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-03-29 US disclosed
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2010-05-06 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 (6 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-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 JAK1 1/4885JAK2 3/4885JAK3 2/4885
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 JAK1 1/4885JAK2 3/4885JAK3 2/4885
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 JAK1 1/4885JAK2 3/4885JAK3 2/4885
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 JAK1 1/4885JAK2 3/4885JAK3 2/4885
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK1 1/4885JAK2 2/4885JAK3 3/4885
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK1 1/4885JAK2 2/4885JAK3 3/4885

“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.