SCHEMBL25833347

SCHEMBL25833347

CC(CN(C)CC(F)F)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.47
GBA1 P04062 1/20 0.44
SLC6A4 P31645 6/20 0.42
SLC6A2 P23975 4/20 0.42
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
PNMT P11086 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
PGR P06401 1/20 0.36
PYCR1 P32322 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35

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
SCHEMBL25857362 0.89 AOC3 (0.46) AOC3GBA1SLC6A4SLC6A2TSHR
SCHEMBL25833514 0.85 AOC3 (0.48) AOC3GBA1SLC6A4SLC6A2TSHR
SCHEMBL25303921 0.84 AOC3 (0.47) AOC3GBA1SLC6A4SLC6A2TSHR
SCHEMBL25832945 0.83 SLC6A2 (0.52) AOC3GBA1SLC6A4SLC6A2TSHR
SCHEMBL25299653 0.83 AOC3 (0.46) AOC3GBA1SLC6A4SLC6A2TSHR
SCHEMBL31068695 0.83 AOC3 (0.46) AOC3GBA1SLC6A4SLC6A2TSHR
SCHEMBL25857357 0.82 AOC3 (0.45) AOC3GBA1SLC6A4SLC6A2TAAR1
SCHEMBL25857406 0.80 AOC3 (0.43) AOC3GBA1SLC6A4SLC6A2TSHR
SCHEMBL25833396 0.80 AOC3 (0.43) AOC3GBA1SLC6A4SLC6A2TSHR
SCHEMBL25833427 0.79 AOC3 (0.49) AOC3GBA1SLC6A4SLC6A2TSHR

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 AOC3 3111/4885GBA1 4295/4885SLC6A4 2807/4885
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK7 AOC3 3111/4885GBA1 4295/4885SLC6A4 2807/4885

“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.