SCHEMBL23344653

SCHEMBL23344653

CC(C)(C)Cc1cc(F)cnc1N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ADORA2A P29274 5/20 0.38
ADORA1 P30542 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
PDE10A Q9Y233 1/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.36
AOC3 Q16853 1/20 0.36
LRRK2 Q5S007 3/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
BCL6 P41182 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
SCHEMBL23344677 0.84 CYP11B1 (0.45) KDM4ELRRK2LMNASMN1; SMN2MEN1
SCHEMBL23328000 0.81 KDM4E (0.44) KDM4EADORA2AADORA1PDE10ATP53
SCHEMBL30912112 0.81 KDM4E (0.44) KDM4EADORA2AADORA1PDE10ATP53
SCHEMBL23344648 0.77 MEN1 (0.43) KDM4EPDE10ALRRK2MEN1KMT2A
SCHEMBL21262656 0.76 KDM4E (0.47) KDM4EAOC3LRRK2LMNASMN1; SMN2
SCHEMBL21262215 0.76 KDM4E (0.54) KDM4ETP53AOC3LRRK2LMNA
SCHEMBL28570476 0.72 KDM4E (0.44) KDM4EADORA2AADORA1TP53THRB
SCHEMBL18412768 0.70 ALDH1A1 (0.51) KDM4EADORA2AADORA1TP53THRB
SCHEMBL23344647 0.70 CYP1A2 (0.45) LRRK2
SCHEMBL24612059 0.70 KDM4E (0.44) KDM4EADORA2AADORA1TP53THRB

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 KDM4E 3022/4885ADORA2A 1891/4885ADORA1 2929/4885

“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.