SCHEMBL3711409

SCHEMBL3711409

O=C(O)Cc1c(F)ccc2cnccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IMPDH2 P12268 5/20 0.40
NAPRT Q6XQN6 1/20 0.40
ERN1 O75460 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPV1 Q8NER1 3/20 0.35
ROS1 P08922 1/20 0.35
RPS6KB1 P23443 1/20 0.35
ROCK2 O75116 2/20 0.34
CCR2 P41597 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL3787931 0.86 IMPDH2 (0.42) KDM4EALDH1A1IMPDH2ERN1MAPKAPK2
SCHEMBL3709635 0.79 LATS1 (0.39) IMPDH2ERN1TRPV1
SCHEMBL29456242 0.79 LATS1 (0.39) IMPDH2ERN1TRPV1
SCHEMBL24821261 0.77 KDM4E (0.67) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3718646 0.73 MAPK8 (0.45) KDM4ENAPRTPTGDR2MAPT
SCHEMBL837578 0.71 TDP1 (0.64) KDM4EALDH1A1MAPKAPK2LMNAROS1
SCHEMBL30636331 0.71 TDP1 (0.64) KDM4EALDH1A1MAPKAPK2LMNAROS1
SCHEMBL29986726 0.70 IMPDH2 (0.46) KDM4EALDH1A1IMPDH2ERN1MAPKAPK2
Hydrochloric Acid SCHEMBL3714409 0.70 TDP1 (0.62) KDM4EALDH1A1MAPKAPK2LMNAROS1
Trifluoroacetic Acid SCHEMBL2333478 0.70 IMPDH2 (0.50) KDM4EIMPDH2ERN1MAPKAPK2TRPV1

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 1237/4885ALDH1A1 4529/4885GLA 492/4885
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885ALDH1A1 4529/4885GLA 492/4885
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885ALDH1A1 4529/4885GLA 492/4885
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885ALDH1A1 4529/4885GLA 492/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885ALDH1A1 4529/4885GLA 492/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885ALDH1A1 4529/4885GLA 492/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885ALDH1A1 4529/4885GLA 492/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885ALDH1A1 4529/4885GLA 492/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 KDM4E 1237/4885ALDH1A1 4529/4885GLA 492/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 KDM4E 1237/4885ALDH1A1 4529/4885GLA 492/4885

“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.