SCHEMBL3776134

SCHEMBL3776134

COC(=O)Cn1c(=O)ccc2cc(Br)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 1/20 0.45
CDK1 P06493 1/20 0.44
CASP3 P42574 1/20 0.44
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCND2 P30279 1/20 0.43
CCND3 P30281 1/20 0.43
MAPT P10636 5/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
KRAS P01116 1/20 0.39
NTSR1 P30989 1/20 0.39
MCL1 Q07820 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
SCHEMBL3782219 0.90 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1HSD17B10CDK1
SCHEMBL3785882 0.86 KDM4E (0.51) NAMPTKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL14564395 0.84 MAPT (0.51) KDM4ESMN1; SMN2ALDH1A1HSD17B10CDK4
SCHEMBL8366395 0.83 MAPT (0.52) KDM4ESMN1; SMN2ALDH1A1HSD17B10MAPT
SCHEMBL3782243 0.82 NAMPT (0.47) NAMPTKDM4EALDH1A1MCL1
SCHEMBL345563 0.81 NAMPT (0.46) NAMPTMAPTTP53NTSR1MCL1
SCHEMBL29456293 0.80 MAPK9 (0.52) KDM4ESMN1; SMN2ALDH1A1HSD17B10CDK4
SCHEMBL3783019 0.80 MAPK9 (0.52) KDM4ESMN1; SMN2ALDH1A1HSD17B10CDK4
SCHEMBL13100002 0.80 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1HSD17B10CDK4
SCHEMBL13099840 0.79 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1HSD17B10CDK4

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 NAMPT 2501/4885KDM4E 1237/4885SMN1; SMN2 2311/4885
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NAMPT 2501/4885KDM4E 1237/4885SMN1; SMN2 2311/4885
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NAMPT 2501/4885KDM4E 1237/4885SMN1; SMN2 2311/4885
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NAMPT 2501/4885KDM4E 1237/4885SMN1; SMN2 2311/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NAMPT 2501/4885KDM4E 1237/4885SMN1; SMN2 2311/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NAMPT 2501/4885KDM4E 1237/4885SMN1; SMN2 2311/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NAMPT 2501/4885KDM4E 1237/4885SMN1; SMN2 2311/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NAMPT 2501/4885KDM4E 1237/4885SMN1; SMN2 2311/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NAMPT 2501/4885KDM4E 1237/4885SMN1; SMN2 2311/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 NAMPT 2501/4885KDM4E 1237/4885SMN1; SMN2 2311/4885

“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.