SCHEMBL23344649

SCHEMBL23344649

CC(C)(C)Cc1cccnc1N1C[C@@H]2C[C@H]1CO2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.45
PDE10A Q9Y233 1/20 0.43
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
MAP3K12 Q12852 5/20 0.36
MAPK1 P28482 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
KIF18A Q8NI77 2/20 0.35
LRRK2 Q5S007 1/20 0.35
SYK P43405 1/20 0.35
PIK3R1 P27986 2/20 0.35
PIK3CA P42336 2/20 0.35
IDH1 O75874 1/20 0.35

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
SCHEMBL3287681 0.85 PDE10A (0.46) GRM4PDE10AMAP3K12MAPK1PIK3CA
SCHEMBL3288576 0.73 PDE10A (0.45) GRM4PDE10AMAP3K12HTR2A
SCHEMBL23344776 0.72 MTOR (0.44) PIK3CA
SCHEMBL23344762 0.69 LRRK2 (0.39) LRRK2PIK3CA
SCHEMBL23344681 0.68 FFAR2 (0.40) MAP3K12KIF18ALRRK2IDH1
SCHEMBL14436539 0.67 CYP1A2 (0.45)
SCHEMBL23344656 0.67 AR (0.42) MAPK1SYK
SCHEMBL23344783 0.66 CYP1A2 (0.48)
SCHEMBL30267157 0.65 CHRNB2 (0.55) MAP3K12SYKPIK3R1PIK3CA
SCHEMBL23107400 0.64 CHRNB2 (0.55) MAP3K12PIK3R1PIK3CAIDH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 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 (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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN5A, SCN2A GRM4 668/4885PDE10A 965/4885KCNQ3 205/4885

“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.