SCHEMBL25833169

SCHEMBL25833169

CC(CN(C)C)c1ccc(F)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.42
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
AOC3 Q16853 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 1/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
ADRB2 P07550 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
SCHEMBL26901678 0.84 PDPK1 (0.39) HTR2AHRH1AOC3TDP1RAB9A
SCHEMBL25259601 0.81 AOC3 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL31068689 0.81 AOC3 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL25299772 0.81 PARP1 (0.36) PARP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31068718 0.81 PARP1 (0.36) PARP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25852502 0.81 TSHR (0.36) HTR2AHRH1AOC3TDP1
SCHEMBL25852412 0.81 S1PR1 (0.47) HTR2AHRH1AOC3TDP1
SCHEMBL21205740 0.80 PARP1 (0.45) PARP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25833224 0.79 AOC3 (0.33) HTR2AHRH1AOC3TDP1RAB9A
SCHEMBL11509121 0.77 PARP1 (0.43) PARP1CYP1A2CYP2D6CYP2C9CYP2C19

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 1494/4885CYP1A2 495/4885CYP2D6 552/4885
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK7 PARP1 1494/4885CYP1A2 495/4885CYP2D6 552/4885

“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.