SCHEMBL3309079

SCHEMBL3309079

O=c1[nH]ccc2c3[nH]c(C4CCCC4)nc3c3ncccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.40
ADORA3 P0DMS8 5/20 0.40
ADORA2A P29274 3/20 0.40
CHEK1 O14757 3/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
TSPO P30536 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
IKBKB O14920 1/20 0.35
MAPK13 O15264 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
FYN P06241 1/20 0.35
RET P07949 1/20 0.35
HCK P08631 1/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL3309121 0.99 ADORA3 (0.39) ADORA1ADORA3ADORA2ACHEK1DRD1
SCHEMBL4108242 0.90 ADORA3 (0.44) ADORA1ADORA3ADORA2ADRD1DRD5
SCHEMBL3309175 0.79 CHEK1 (0.40) ADORA1ADORA3ADORA2ACHEK1TSPO
SCHEMBL4109146 0.77 JAK2 (0.38) CHEK1HTR2BJAK2JAK1JAK3
SCHEMBL5759875 0.77 JAK2 (0.56) CHEK1JAK2JAK1IKBKBMAPK13
SCHEMBL13558239 0.77 CHEK1 (0.41) ADORA1ADORA3ADORA2ACHEK1DRD3
SCHEMBL3620725 0.77 PIM1 (0.43) CHEK1JAK2JAK1IKBKBMAPK13
SCHEMBL5762175 0.76 JAK2 (0.55) CHEK1JAK2JAK1IKBKBMAPK13
SCHEMBL3310907 0.76 JAK2 (0.60) CHEK1JAK2JAK1IKBKBMAPK13
SCHEMBL4458883 0.75 RAB9A (0.42) RPS6KA3MAPK14

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-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
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
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 (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 ADORA1 2816/4885ADORA3 2713/4885ADORA2A 2911/4885
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 ADORA1 4616/4885ADORA3 4566/4885ADORA2A 4577/4885
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 ADORA1 4317/4885ADORA3 4004/4885ADORA2A 4382/4885
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 ADORA1 2600/4885ADORA3 2633/4885ADORA2A 1783/4885
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 ADORA1 4317/4885ADORA3 4004/4885ADORA2A 4382/4885
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 ADORA1 4317/4885ADORA3 4004/4885ADORA2A 4382/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 ADORA1 4616/4885ADORA3 4566/4885ADORA2A 4577/4885

“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.