SCHEMBL25833396

SCHEMBL25833396

CC(CN(C)CC#N)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.43
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
PYCR1 P32322 1/20 0.39
GBA1 P04062 1/20 0.39
TSHR P16473 2/20 0.36
RECQL P46063 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PNMT P11086 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCR5 P51681 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL25857406 1.00 AOC3 (0.43) AOC3SLC6A2SLC6A4PYCR1GBA1
SCHEMBL25262039 0.85 AOC3 (0.43) AOC3SLC6A2SLC6A4PYCR1GBA1
SCHEMBL31068674 0.84 SLC6A2 (0.44) AOC3SLC6A2SLC6A4PYCR1TSHR
SCHEMBL25299430 0.84 SLC6A2 (0.44) AOC3SLC6A2SLC6A4PYCR1TSHR
SCHEMBL25857409 0.84 AOC3 (0.42) AOC3SLC6A2SLC6A4MAOBALDH1A1
SCHEMBL25833514 0.81 AOC3 (0.48) AOC3SLC6A2SLC6A4PYCR1GBA1
SCHEMBL25852805 0.81 AOC3 (0.40) AOC3SLC6A2SLC6A4PYCR1GBA1
SCHEMBL25833347 0.80 AOC3 (0.47) AOC3SLC6A2SLC6A4PYCR1GBA1
SCHEMBL25832945 0.79 SLC6A2 (0.52) AOC3SLC6A2SLC6A4GBA1TSHR
SCHEMBL25857362 0.79 AOC3 (0.46) AOC3SLC6A2SLC6A4PYCR1GBA1

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 3111/4885SLC6A2 1803/4885SLC6A4 2807/4885
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK7 AOC3 3111/4885SLC6A2 1803/4885SLC6A4 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.