SCHEMBL1798466

SCHEMBL1798466

CN1CCC(c2nc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc([C@H]5CC[C@H](N6CCCC6)CC5)cc34)cs2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.36
DRD3 P35462 4/20 0.35
HRH3 Q9Y5N1 1/20 0.35
BRD4 O60885 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ACVR1 Q04771 4/20 0.34
FAAH O00519 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
PKM P14618 1/20 0.33
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
ACVR1B P36896 1/20 0.32
TGFBR1 P36897 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1798465 1.00 HTR6 (0.36) HTR6DRD3HRH3BRD4SMN1; SMN2
SCHEMBL8181787 1.00 HTR6 (0.36) HTR6DRD3HRH3BRD4SMN1; SMN2
SCHEMBL8176428 0.96 ACVR1 (0.37) HTR6DRD3HRH3BRD4SMN1; SMN2
SCHEMBL1798579 0.96 ACVR1 (0.37) HTR6DRD3HRH3BRD4SMN1; SMN2
SCHEMBL1798577 0.96 ACVR1 (0.37) HTR6DRD3HRH3BRD4SMN1; SMN2
SCHEMBL1798455 0.94 MAPK8 (0.42) HTR6DRD3HRH3BRD4ACVR1
SCHEMBL8165839 0.94 MAPK8 (0.42) HTR6DRD3HRH3BRD4ACVR1
SCHEMBL1798453 0.94 MAPK8 (0.42) HTR6DRD3HRH3BRD4ACVR1
SCHEMBL8181794 0.94 MAPK8 (0.39) HTR6DRD3HRH3BRD4SMN1; SMN2
SCHEMBL1799201 0.94 MAPK8 (0.39) HTR6DRD3HRH3BRD4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 US disclosed
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 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 (1 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-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 HTR6 2021/4885DRD3 2479/4885HRH3 2672/4885

“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.