SCHEMBL31368056

SCHEMBL31368056

Cc1c(C(=O)O)c2cc(Cl)ccc2n1CC1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.52
CNR1 P21554 2/20 0.52
HTT P42858 2/20 0.44
FEN1 P39748 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL31368123 0.88 CNR2 (0.49) CNR2CNR1HTTGAAMAPT
SCHEMBL31368076 0.84 CNR2 (0.48) CNR2CNR1HTTFEN1KDM4E
SCHEMBL31368125 0.84 CNR2 (0.48) CNR2CNR1HTTFEN1KDM4E
SCHEMBL31368046 0.84 CNR2 (0.47) CNR2CNR1HTTFEN1KDM4E
SCHEMBL18698713 0.83 CNR2 (0.50) CNR2CNR1FEN1
SCHEMBL18698726 0.80 CNR2 (0.47) CNR2CNR1HTTFEN1GAA
SCHEMBL31368129 0.78 CNR2 (0.41) CNR2CNR1
SCHEMBL31368153 0.77 CNR2 (0.47) CNR2CNR1HTTTP53MAPT
SCHEMBL31368095 0.77 CNR2 (0.47) CNR2CNR1HTTTP53MAPT
SCHEMBL17956272 0.77 CNR2 (0.53) CNR2CNR1

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-20250092036-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-03-20 US disclosed
WO-2025037229-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS AG (CH) 2025-02-20 WO 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-20250092036-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK MAPK1, MAP3K1, MAPK6 CNR2 2020/4885CNR1 1719/4885HTT 2029/4885

“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.