SCHEMBL3711601

SCHEMBL3711601

Cc1csc(-c2sccc2[N+](=O)[O-])n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
TXNRD1 Q16881 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
POLB P06746 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL829974 0.76 MGAM (0.51) ALDH1A1SMN1; SMN2MAPTMAPK1MEN1
SCHEMBL11826120 0.75 PDE7A (0.43) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL1181150 0.74 PDE10A (0.44) ALDH1A1SMN1; SMN2MAPTMAPK1MEN1
SCHEMBL995671 0.74 TSHR (0.50) ALDH1A1SMN1; SMN2MAPTMAPK1MEN1
SCHEMBL3709607 0.73 PDPK1 (0.40) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6415841 0.72 EIF4E (0.43) ALDH1A1SMN1; SMN2MAPTMAPK1MEN1
SCHEMBL3709652 0.71 NOS1 (0.45) ALDH1A1SMN1; SMN2MAPTMAPK1MEN1
SCHEMBL13680613 0.71 RAB9A (0.59) ALDH1A1SMN1; SMN2MAPTMAPK1MEN1
SCHEMBL7468472 0.70 PTGS2 (0.51) ALDH1A1MAPTTDP1CYP3A4THRB
SCHEMBL996621 0.69 GAA (0.49) ALDH1A1MAPTMAPK1MEN1KMT2A

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 ALDH1A1 4529/4885SMN1; SMN2 2311/4885MAPT 51/4885
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885SMN1; SMN2 2311/4885MAPT 51/4885
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885SMN1; SMN2 2311/4885MAPT 51/4885
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885SMN1; SMN2 2311/4885MAPT 51/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885SMN1; SMN2 2311/4885MAPT 51/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885SMN1; SMN2 2311/4885MAPT 51/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885SMN1; SMN2 2311/4885MAPT 51/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885SMN1; SMN2 2311/4885MAPT 51/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885SMN1; SMN2 2311/4885MAPT 51/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885SMN1; SMN2 2311/4885MAPT 51/4885

“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.