SCHEMBL25833165

SCHEMBL25833165

COCC(C)c1ccc(F)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.42
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ABCB11 O95342 1/20 0.33
IDO1 P14902 2/20 0.32
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
ADRB2 P07550 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CRHR1 P34998 3/20 0.31
APLNR P35414 2/20 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
SCHEMBL12891913 0.84 PDPK1 (0.39) SLC6A2SLC6A4SLC6A3ABCB11LMNA
SCHEMBL21205740 0.80 PARP1 (0.45) PARP1IDO1NPSR1LMNATSHR
SCHEMBL25833222 0.79 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3ABCB11
SCHEMBL19069421 0.79 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3NPSR1LMNA
SCHEMBL16770633 0.79 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3NPSR1LMNA
SCHEMBL17071856 0.79 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3NPSR1LMNA
SCHEMBL23901223 0.78 SLC6A2 (0.33) PARP1SLC6A2SLC6A4SLC6A3IDO1
SCHEMBL11509121 0.77 PARP1 (0.43) PARP1RXRAGRIN1GRIN2BIDO1
SCHEMBL16770784 0.77 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3RXRAGRIN1
SCHEMBL16770677 0.77 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3RXRAGRIN1

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 PARP1 1494/4885SLC6A2 1803/4885SLC6A4 2807/4885
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK7 PARP1 1494/4885SLC6A2 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.