SCHEMBL3714915

SCHEMBL3714915

O=[N+]([O-])c1ccsc1-c1cscn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.40
PDE7A Q13946 1/20 0.36
MAPK9 P45984 6/20 0.34
MAPK10 P53779 5/20 0.34
MAPK8 P45983 4/20 0.34
CNR1 P21554 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
IDO1 P14902 1/20 0.32
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL11826120 0.76 PDE7A (0.43) PDE7AKMT2AALDH1A1
SCHEMBL3707714 0.73 MAPK8 (0.41) MAPK9MAPK10MAPK8KMT2AALDH1A1
SCHEMBL3711221 0.73 MAPK8 (0.35) PDE7AMAPK10MAPK8KMT2AALDH1A1
SCHEMBL11033865 0.72 ALDH1A1 (0.49) METAP1IDO1KMT2AALDH1A1
SCHEMBL3709607 0.71 PDPK1 (0.40) PDE7AKMT2AALDH1A1PKM
SCHEMBL3782420 0.71 MAPK8 (0.44) MAPK10MAPK8KMT2AALDH1A1
SCHEMBL7045901 0.70 RAB9A (0.45) METAP1MAPK9MAPK10MAPK8IDO1
SCHEMBL27835711 0.70 ALDH1A1 (0.46) METAP1IDO1KMT2AALDH1A1
SCHEMBL27861310 0.70 RAB9A (0.54) MAPK10KMT2AALDH1A1
SCHEMBL3712575 0.70 MAPK8 (0.39) PDE7AMAPK10MAPK8KMT2AALDH1A1

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 17 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
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 METAP1 2924/4885PDE7A 3242/4885MAPK9 16/4885
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 METAP1 2924/4885PDE7A 3242/4885MAPK9 16/4885
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 METAP1 2924/4885PDE7A 3242/4885MAPK9 16/4885
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 METAP1 2924/4885PDE7A 3242/4885MAPK9 16/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 METAP1 2924/4885PDE7A 3242/4885MAPK9 16/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 METAP1 2924/4885PDE7A 3242/4885MAPK9 16/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 METAP1 2924/4885PDE7A 3242/4885MAPK9 16/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 METAP1 2924/4885PDE7A 3242/4885MAPK9 16/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 METAP1 2924/4885PDE7A 3242/4885MAPK9 16/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 METAP1 2924/4885PDE7A 3242/4885MAPK9 16/4885

“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.