SCHEMBL2358822

SCHEMBL2358822

CC(C)(CC#N)c1nc2c3c[n+]([O-])ccc3c3c(=O)[nH]ccc3c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.44
IKBKB O14920 1/20 0.44
MAPK13 O15264 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
FYN P06241 1/20 0.44
RET P07949 1/20 0.44
HCK P08631 1/20 0.44
PDGFRB P09619 1/20 0.44
PIM1 P11309 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
PRKCA P17252 1/20 0.44
PRKACA P17612 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
JAK1 P23458 1/20 0.44

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
SCHEMBL3310360 0.87 JAK2 (0.57) CHEK1IKBKBMAPK13DAPK3JAK2
SCHEMBL2357930 0.82 JAK2 (0.45) CHEK1IKBKBMAPK13DAPK3JAK2
SCHEMBL13751476 0.75 JAK2 (0.58) CHEK1IKBKBMAPK13DAPK3JAK2
SCHEMBL5759495 0.70 JAK2 (0.65) CHEK1IKBKBMAPK13DAPK3JAK2
SCHEMBL3310430 0.66 JAK2 (0.60) CHEK1IKBKBMAPK13DAPK3JAK2
SCHEMBL2305952 0.65 JAK2 (0.53) CHEK1IKBKBMAPK13DAPK3JAK2
SCHEMBL5759753 0.65 JAK2 (0.68) CHEK1IKBKBMAPK13DAPK3JAK2
SCHEMBL5759302 0.63 JAK2 (0.62) CHEK1IKBKBMAPK13DAPK3JAK2
SCHEMBL904545 0.63 JAK2 (0.91) CHEK1IKBKBMAPK13DAPK3JAK2
SCHEMBL29521847 0.63 JAK2 (0.91) CHEK1IKBKBMAPK13DAPK3JAK2

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 12 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO 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
EP-2349260-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES Incyte Corporation (US) 2011-08-03 EP disclosed
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2010-05-06 US disclosed
WO-2010039939-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2010-04-08 WO disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 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 (7 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 CHEK1 427/4885IKBKB 121/4885MAPK13 219/4885
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 CHEK1 412/4885IKBKB 89/4885MAPK13 99/4885
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 CHEK1 407/4885IKBKB 41/4885MAPK13 110/4885
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 CHEK1 1591/4885IKBKB 1365/4885MAPK13 3913/4885
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 CHEK1 407/4885IKBKB 41/4885MAPK13 110/4885
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 CHEK1 407/4885IKBKB 41/4885MAPK13 110/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 CHEK1 412/4885IKBKB 89/4885MAPK13 99/4885

“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.