SCHEMBL3307541

SCHEMBL3307541

CS(=O)(=O)N1CCC(c2nc3c4cnccc4c4c(=O)[nH]ccc4c3[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.40
JAK3 P52333 4/20 0.40
JAK1 P23458 3/20 0.40
ATR Q13535 13/20 0.40
CHEK1 O14757 4/20 0.37
PRKDC P78527 2/20 0.37
ATM Q13315 2/20 0.37
ATRIP Q8WXE1 8/20 0.36
MTOR P42345 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
KCNH2 Q12809 1/20 0.34
CDK9 P50750 1/20 0.34

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
SCHEMBL3309115 0.85 CHEK1 (0.39) JAK2JAK3JAK1CHEK1KCNH2
SCHEMBL3309123 0.85 CHEK1 (0.39) JAK2JAK3JAK1CHEK1KCNH2
SCHEMBL3309175 0.84 CHEK1 (0.40) JAK2JAK3JAK1CHEK1
SCHEMBL4109146 0.83 JAK2 (0.38) JAK2JAK3JAK1ATRCHEK1
SCHEMBL2358229 0.79 JAK1 (0.44) JAK2JAK3JAK1KCNH2
SCHEMBL2305277 0.77 MAPK11 (0.34) JAK2JAK3JAK1ATRATRIP
SCHEMBL2358064 0.74 CDC7 (0.39) JAK2JAK3JAK1CHEK1KCNH2
SCHEMBL2358539 0.73 JAK2 (0.39) JAK2JAK3JAK1ATRCHEK1
SCHEMBL3310430 0.71 JAK2 (0.60) JAK2JAK3JAK1CHEK1KCNH2
Trifluoroacetic Acid SCHEMBL4092665 0.69 JAK2 (0.37) JAK2JAK3JAK1CHEK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US claimed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 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-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2012-11-29 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
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 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 JAK2 3/4885JAK3 2/4885JAK1 1/4885
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 JAK2 2/4885JAK3 3/4885JAK1 1/4885
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 JAK2 3/4885JAK3 2/4885JAK1 1/4885
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 JAK2 3/4885JAK3 2/4885JAK1 1/4885
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 JAK2 3/4885JAK3 2/4885JAK1 1/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 JAK2 2/4885JAK3 3/4885JAK1 1/4885

“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.