SCHEMBL25833123

SCHEMBL25833123

CC(CN(C)C)c1cccc(I)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
HRH1 P35367 2/20 0.44
AOC3 Q16853 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SLC22A1 O15245 1/20 0.41
OPRM1 P35372 1/20 0.41
SLC6A2 P23975 7/20 0.36
SLC6A4 P31645 7/20 0.36
SLC6A3 Q01959 5/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
KCNH2 Q12809 2/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
APP P05067 1/20 0.34
HTR2C P28335 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL25257967 0.80 AOC3 (0.46) HTR2AHRH1AOC3TDP1SLC22A1
SCHEMBL25304228 0.80 HTR2A (0.42) HTR2AHRH1AOC3TDP1SLC22A1
SCHEMBL25852035 0.79 AOC3 (0.50) HTR2AHRH1AOC3TDP1SLC22A1
SCHEMBL6678729 0.79 HDAC4 (0.53) SLC22A1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL27855785 0.79 HDAC4 (0.41) TDP1SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL19122198 0.79 HDAC4 (0.53) SLC22A1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL25832945 0.78 SLC6A2 (0.52) HTR2AHRH1AOC3TDP1SLC22A1
SCHEMBL8411589 0.78 OPRM1 (0.64) HTR2AHRH1AOC3TDP1SLC22A1
SCHEMBL4662642 0.78 AOC3 (0.51) HTR2AHRH1AOC3TDP1SLC22A1
SCHEMBL25833084 0.78 GBA1 (0.45) HTR2AHRH1AOC3TDP1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827637-B2 Azaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2023-11-28 US disclosed
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2023-07-20 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 (2 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-11827637-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK7 HTR2A 1968/4885HRH1 2554/4885AOC3 3111/4885
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK7 HTR2A 1968/4885HRH1 2554/4885AOC3 3111/4885

“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.