SCHEMBL25857978

SCHEMBL25857978

COCc1cc(Cl)cc(C(C)CO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.39
IDO1 P14902 2/20 0.37
ACLY P53396 1/20 0.34
TACR1 P25103 2/20 0.34
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PRKCG P05129 1/20 0.30
MAPT P10636 1/20 0.30
PRKCA P17252 1/20 0.30
APEX1 P27695 1/20 0.30
RECQL P46063 1/20 0.30
PRKCE Q02156 1/20 0.30
KMT2A Q03164 1/20 0.30
MYLK Q15746 1/20 0.30

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
SCHEMBL13232231 0.84 IDO1 (0.41) IDO1ACLYTACR1
SCHEMBL25833880 0.82 IDO1 (0.34) IDO1ACLYTACR1ALDH1A1MAPT
SCHEMBL16770774 0.79 ABCB11 (0.41) ABCB11PSEN1PSEN2APH1BNCSTN
SCHEMBL17071834 0.79 ABCB11 (0.41) ABCB11PSEN1PSEN2APH1BNCSTN
SCHEMBL25853508 0.77 PSEN1 (0.36) ABCB11PSEN1PSEN2APH1BNCSTN
SCHEMBL791863 0.77 IDO1 (0.58) IDO1ACLYTACR1MEN1ALDH1A1
SCHEMBL20738611 0.76 ABCB11 (0.46) ABCB11IDO1ALDH1A1
SCHEMBL25305309 0.74 AOC3 (0.37) IDO1TACR1MEN1ALDH1A1PRKCG
SCHEMBL25831720 0.74 AOC3 (0.37) IDO1TACR1MEN1ALDH1A1PRKCG
SCHEMBL25263745 0.72 IDO1 (0.34) IDO1TACR1MAPT

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
EP-4212531-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2023-07-19 EP 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-11827637-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK7 ABCB11 1939/4885IDO1 917/4885ACLY 4697/4885

“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.