SCHEMBL3776103

SCHEMBL3776103

O=[N+]([O-])c1ccsc1-n1cncn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
MAPT P10636 2/20 0.41
FBP1 P09467 1/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL3789510 0.75 ALDH1A1 (0.41) KDM4EMAPTKMT2APOLBMEN1
SCHEMBL3720616 0.73 KDM4E (0.41) KDM4EMAPK8MAPK10MAPTKMT2A
SCHEMBL3787550 0.73 KDM4E (0.36) KDM4EMAPTKMT2APOLBMEN1
SCHEMBL3785685 0.72 MAPT (0.46) MAPK8MAPK10MAPTALDH1A1
SCHEMBL3783559 0.72 LMNA (0.36) KDM4EMAPTKMT2APOLBMEN1
SCHEMBL4455066 0.71 KMT2A (0.51) KDM4EMAPTFBP1KMT2APOLB
SCHEMBL31009041 0.71 KMT2A (0.51) KDM4EMAPTFBP1KMT2APOLB
SCHEMBL8128193 0.68 PDE7A (0.40) MAPTKMT2APOLBMEN1ALDH1A1
SCHEMBL9825103 0.68 CYP1A2 (0.54) KDM4EMAPTKMT2APOLBMEN1
SCHEMBL27996718 0.67 KDM4E (0.50) KDM4EMAPTFBP1KMT2APOLB

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 16 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
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 KDM4E 1237/4885MAPK8 24/4885MAPK10 21/4885
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885MAPK8 24/4885MAPK10 21/4885
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885MAPK8 24/4885MAPK10 21/4885
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885MAPK8 24/4885MAPK10 21/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885MAPK8 24/4885MAPK10 21/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885MAPK8 24/4885MAPK10 21/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885MAPK8 24/4885MAPK10 21/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885MAPK8 24/4885MAPK10 21/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885MAPK8 24/4885MAPK10 21/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 KDM4E 1237/4885MAPK8 24/4885MAPK10 21/4885

“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.