SCHEMBL3776154

SCHEMBL3776154

Nc1ccsc1-n1cccn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
TDO2 P48775 1/20 0.39
ALDH1A1 P00352 4/20 0.38
ADORA2A P29274 10/20 0.37
ADORA1 P30542 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
G6PD P11413 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6571813 0.78 NOTUM (0.39) NOTUMALDH1A1KDM4ELMNAMEN1
SCHEMBL3473289 0.78 NOTUM (0.39) NOTUMTDO2ALDH1A1ADORA2AADORA1
SCHEMBL21484254 0.77 LMNA (0.37) NOTUMTDO2ALDH1A1ADORA2AADORA1
SCHEMBL21484255 0.74 ALDH1A1 (0.39) NOTUMALDH1A1ADORA2AKDM4ELMNA
SCHEMBL23413515 0.73 KMT2A (0.50) NOTUMALDH1A1KDM4ELMNAMEN1
SCHEMBL3784537 0.72 ALDH1A1 (0.36) ALDH1A1ADORA2AADORA1
SCHEMBL1782525 0.67 ALDH1A1 (0.45) NOTUMTDO2ALDH1A1KDM4ELMNA
SCHEMBL1531523 0.67 MAPK1 (0.56) NOTUMTDO2ALDH1A1ADORA2AADORA1
SCHEMBL156897 0.67 POLB (0.47) NOTUMTDO2ALDH1A1ADORA2AADORA1
SCHEMBL3787426 0.67 LMNA (0.47) NOTUMLMNAMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2022-03-17 US disclosed
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-09-03 US disclosed
US-20200039972-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-02-06 US disclosed
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2019-06-27 US disclosed
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-11-08 US disclosed
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-02-08 US disclosed
EP-2393806-B1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARM INC (US) 2017-10-25 EP disclosed
US-9796706-B2 Inhibitors of Jun N-terminal kinase IMAGO PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2017-04-20 US disclosed
CN-102365277-B JUN N-terminal kinase inhibitors ELAN PHARMACEUTICALS, INC. (US) 2015-11-25 CN disclosed
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2015-09-17 US disclosed
US-9073891-B2 Inhibitors of Jun N-terminal kinase IMAGO PHARMACEUTICALS, INC. (US) 2015-07-07 US disclosed
US-8450363-B2 Inhibitors of Jun N-terminal kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARMACEUTICALS, INC. 2013-03-21 US disclosed
CN-102365277-A Inhibitors of jun n-terminal kinase ELAN PHARM INC 2012-02-29 CN disclosed
EP-2393806-A1 INHIBITORS OF JUN N-TERMINAL KINASE Elan Pharmaceuticals Inc. (US) 2011-12-14 EP disclosed
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase ELAN PHARMACETICALS, INC. 2010-12-30 US disclosed
WO-2010091310-A1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARMACEUTICALS, INC. (US) 2010-08-12 WO 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 (10 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-20200039972-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885TDO2 4046/4885ALDH1A1 4529/4885
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885TDO2 4046/4885ALDH1A1 4529/4885
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885TDO2 4046/4885ALDH1A1 4529/4885
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885TDO2 4046/4885ALDH1A1 4529/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885TDO2 4046/4885ALDH1A1 4529/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885TDO2 4046/4885ALDH1A1 4529/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885TDO2 4046/4885ALDH1A1 4529/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885TDO2 4046/4885ALDH1A1 4529/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOTUM 2315/4885TDO2 4046/4885ALDH1A1 4529/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 NOTUM 2315/4885TDO2 4046/4885ALDH1A1 4529/4885

“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.