Sugi Predict

Sugi Predict / Compounds / SCHEMBL3787550

SCHEMBL3787550

SCHEMBL3787550

Cc1cnn(-c2sccc2[N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL3782235 0.73 TDO2 (0.44) KDM4EHPGDCYP3A4TSHRMAPT
SCHEMBL3776103 0.73 KDM4E (0.46) KDM4EHSP90AA1MAPTALDH1A1MEN1
SCHEMBL3789510 0.73 ALDH1A1 (0.41) KDM4EHPGDLMNAMAPTALDH1A1
SCHEMBL3720616 0.71 KDM4E (0.41) KDM4EHPGDPKMLMNAMAPT
SCHEMBL1225519 0.71 ALDH1A1 (0.45) HPGDPKMLMNACYP3A4TSHR
SCHEMBL3784802 0.71 MAPT (0.37) KDM4EHPGDLMNACYP3A4MAPT
SCHEMBL3783559 0.70 LMNA (0.36) KDM4EHPGDPKMLMNAMAPT
SCHEMBL11962622 0.69 HTT (0.55) LMNAHSP90AA1MAPTALDH1A1NPC1
SCHEMBL29002968 0.68 — —
SCHEMBL23154022 0.67 HSP90AA1 (0.39) KDM4EHPGDPKMLMNACYP3A4

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 1237/4885HPGD 1999/4885PKM 2326/4885
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885HPGD 1999/4885PKM 2326/4885
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885HPGD 1999/4885PKM 2326/4885
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885HPGD 1999/4885PKM 2326/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885HPGD 1999/4885PKM 2326/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885HPGD 1999/4885PKM 2326/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885HPGD 1999/4885PKM 2326/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885HPGD 1999/4885PKM 2326/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885HPGD 1999/4885PKM 2326/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 KDM4E 1237/4885HPGD 1999/4885PKM 2326/4885

“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.