SCHEMBL2355684

SCHEMBL2355684

CN(C)CC(=O)N1CCN(c2nc3c4ccc(F)cc4c4c(=O)[nH]ccc4c3s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
TP53 P04637 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
JAK2 O60674 6/20 0.40
CHEK1 O14757 3/20 0.40
JAK1 P23458 2/20 0.40
IKBKB O14920 1/20 0.40
MAPK13 O15264 1/20 0.40
DAPK3 O43293 1/20 0.40
PRKD3 O94806 1/20 0.40
FYN P06241 1/20 0.40
RET P07949 1/20 0.40
HCK P08631 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
PRKCA P17252 1/20 0.40
PRKACA P17612 1/20 0.40

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
SCHEMBL2358281 0.89 JAK2 (0.43) MAPTTP53NPC1RAB9AJAK2
SCHEMBL2356780 0.89 TDO2 (0.44) MAPTTP53NPC1RAB9AJAK2
SCHEMBL2302385 0.87 TP53 (0.46) MAPTTP53NPC1RAB9AJAK2
SCHEMBL15389627 0.86 CHEK1 (0.44) MAPTTP53NPC1RAB9AJAK2
SCHEMBL2356538 0.86 CHEK1 (0.42) MAPTTP53NPC1RAB9AJAK2
SCHEMBL2357981 0.86 CHEK1 (0.43) MAPTTP53JAK2CHEK1JAK1
SCHEMBL2355740 0.85 MAPT (0.46) MAPTTP53NPC1RAB9AJAK2
SCHEMBL2355173 0.85 JAK2 (0.42) MAPTTP53JAK2CHEK1JAK1
SCHEMBL2355563 0.85 MAPT (0.42) MAPTTP53JAK2CHEK1JAK1
SCHEMBL2307911 0.83 JAK2 (0.48) JAK2CHEK1JAK1IKBKBMAPK13

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 14 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
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 WO 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
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO disclosed
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 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
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
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 (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 MAPT 1843/4885TP53 3210/4885NPC1 3906/4885
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 MAPT 2554/4885TP53 1050/4885NPC1 4245/4885
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 MAPT 2464/4885TP53 3995/4885NPC1 4387/4885
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 MAPT 2214/4885TP53 3779/4885NPC1 3613/4885
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 MAPT 2464/4885TP53 3995/4885NPC1 4387/4885
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 MAPT 2464/4885TP53 3995/4885NPC1 4387/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 MAPT 2554/4885TP53 1050/4885NPC1 4245/4885

“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.