SCHEMBL3778294

SCHEMBL3778294

COC(=O)Cn1c(=O)ccc2ncccc21

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.69
KDM4E B2RXH2 10/20 0.69
HSD17B10 Q99714 3/20 0.69
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 2/20 0.46
HPGD P15428 3/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCND2 P30279 1/20 0.46
CCND3 P30281 1/20 0.46
HTT P42858 3/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL11985534 0.84 KDM4E (0.49) ALDH1A1KDM4EHSD17B10MAPTNPC1
SCHEMBL3777821 0.82 KDM4E (0.66) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL18727718 0.81 KDM4E (0.49) ALDH1A1KDM4EHSD17B10MAPTKMT2A
SCHEMBL13767381 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL13952491 0.75 POLB (0.44) ALDH1A1KDM4EHSD17B10SMN1; SMN2MAPT
SCHEMBL3784010 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10SMN1; SMN2MAPT
SCHEMBL24138327 0.73 PDE5A (0.54) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL31138328 0.73 PDE5A (0.54) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL3783280 0.72 KDM4E (0.51) ALDH1A1KDM4EHSD17B10SMN1; SMN2MAPT
SCHEMBL9850822 0.72 FABP4 (0.50) ALDH1A1KDM4EHSD17B10MAPTKMT2A

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 ALDH1A1 4529/4885KDM4E 1237/4885HSD17B10 3960/4885
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885KDM4E 1237/4885HSD17B10 3960/4885
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885KDM4E 1237/4885HSD17B10 3960/4885
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885KDM4E 1237/4885HSD17B10 3960/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885KDM4E 1237/4885HSD17B10 3960/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885KDM4E 1237/4885HSD17B10 3960/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885KDM4E 1237/4885HSD17B10 3960/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885KDM4E 1237/4885HSD17B10 3960/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885KDM4E 1237/4885HSD17B10 3960/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 ALDH1A1 4529/4885KDM4E 1237/4885HSD17B10 3960/4885

“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.