SCHEMBL3784430

SCHEMBL3784430

COC(=O)Cn1c(=O)ccc2ccc(C#N)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.46
MAPK9 P45984 2/20 0.46
MAPK10 P53779 2/20 0.46
KCNH2 Q12809 3/20 0.45
SCN7A Q01118 1/20 0.45
KDM4E B2RXH2 7/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 4/20 0.43
TSHR P16473 3/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
GLA P06280 1/20 0.42
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
CCR9 P51686 1/20 0.41

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
SCHEMBL29456187 0.83 SCN7A (0.48) MAPK8MAPK9MAPK10KCNH2SCN7A
SCHEMBL3777387 0.83 SCN7A (0.48) MAPK8MAPK9MAPK10KCNH2SCN7A
SCHEMBL29456255 0.82 SCN7A (0.47) MAPK8MAPK9MAPK10KCNH2SCN7A
SCHEMBL12569776 0.81 ALDH1A1 (0.49) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL3782219 0.80 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1HSD17B10TSHR
SCHEMBL1439524 0.80 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1HSD17B10TSHR
SCHEMBL3787361 0.79 SCN7A (0.50) MAPK8MAPK9MAPK10KCNH2SCN7A
SCHEMBL13100002 0.78 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1HSD17B10TSHR
SCHEMBL12546112 0.77 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1HSD17B10TSHR
SCHEMBL13099840 0.77 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1HSD17B10TSHR

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 14 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
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase ELAN PHARMACETICALS, INC. 2010-12-30 US 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 MAPK8 24/4885MAPK9 16/4885MAPK10 21/4885
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 MAPK8 24/4885MAPK9 16/4885MAPK10 21/4885
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 MAPK8 24/4885MAPK9 16/4885MAPK10 21/4885
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 MAPK8 24/4885MAPK9 16/4885MAPK10 21/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 MAPK8 24/4885MAPK9 16/4885MAPK10 21/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 MAPK8 24/4885MAPK9 16/4885MAPK10 21/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 MAPK8 24/4885MAPK9 16/4885MAPK10 21/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 MAPK8 24/4885MAPK9 16/4885MAPK10 21/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 MAPK8 24/4885MAPK9 16/4885MAPK10 21/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 MAPK8 24/4885MAPK9 16/4885MAPK10 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.