SCHEMBL13019293

SCHEMBL13019293

CC(C)N1C(=O)CCc2ncccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PTPN11 Q06124 1/20 0.35
MAPK9 P45984 7/20 0.35
MAPK10 P53779 6/20 0.35
MAPK8 P45983 5/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC1A2 P43004 1/20 0.33
KCNQ2 O43526 1/20 0.32

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
SCHEMBL23563041 0.91 SMN1; SMN2 (0.44) SMN1; SMN2CYP2D6CYP2C9MAPK9MAPK10
SCHEMBL5956410 0.85 SMN1; SMN2 (0.41) SMN1; SMN2CYP2D6CYP2C9GAAHTT
SCHEMBL18635357 0.78 CYP11B2 (0.44) PTPN11MAPK9MAPK10MAPK8HDAC1
SCHEMBL25509137 0.75 KCNQ2 (0.31) SMN1; SMN2DPP8DPP9KCNQ2
SCHEMBL30806569 0.75 MAPK9 (0.37) PTPN11MAPK9MAPK10MAPK8HDAC1
SCHEMBL13019291 0.74 MTNR1A (0.38) SMN1; SMN2CYP2D6CYP2C9HDAC1HDAC6
SCHEMBL19495311 0.74 CYP1A2 (0.48) PTPN11MAPK9MAPK10MAPK8HDAC1
SCHEMBL5956393 0.73 SMN1; SMN2 (0.55) SMN1; SMN2CYP2D6CYP2C9CHRM1DRD2
SCHEMBL29896794 0.73 SMN1; SMN2 (0.55) SMN1; SMN2CYP2D6CYP2C9CHRM1DRD2
SCHEMBL17244886 0.72

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-02-08 US 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-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 (5 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-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 SMN1; SMN2 2311/4885CYP2D6 2186/4885CYP2C9 3780/4885
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 SMN1; SMN2 2311/4885CYP2D6 2186/4885CYP2C9 3780/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 SMN1; SMN2 2311/4885CYP2D6 2186/4885CYP2C9 3780/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 SMN1; SMN2 2311/4885CYP2D6 2186/4885CYP2C9 3780/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 SMN1; SMN2 2311/4885CYP2D6 2186/4885CYP2C9 3780/4885

“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.