SCHEMBL25833306

SCHEMBL25833306

CC(CN(C)C)c1cc(F)cc(I)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL25833645 0.87 HTR2A (0.35) AOC3HTR2AHRH1
SCHEMBL25303622 0.81 AOC3 (0.41) AOC3
SCHEMBL25260066 0.81
SCHEMBL25853272 0.80 SLC6A2 (0.33) AOC3HTR2AHRH1
SCHEMBL25833265 0.79 TRPM8 (0.39) AOC3HTR2AHRH1
SCHEMBL16692509 0.78 ABCB11 (0.35)
SCHEMBL19083053 0.74 GABRA1 (0.38)
SCHEMBL25833224 0.74 AOC3 (0.33) AOC3HTR2AHRH1
SCHEMBL16692510 0.73
SCHEMBL4662642 0.73 AOC3 (0.51) AOC3HTR2AHRH1

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 3111/4885HTR2A 1968/4885HRH1 2554/4885
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK7 AOC3 3111/4885HTR2A 1968/4885HRH1 2554/4885

“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.