SCHEMBL23344648

SCHEMBL23344648

CC(C)(C)Cc1cncnc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
PTK2 Q05397 1/20 0.39
PDE10A Q9Y233 2/20 0.39
CHEK1 O14757 1/20 0.38
PDPK1 O15530 1/20 0.38
MAPK1 P28482 1/20 0.38
PAK1 Q13153 1/20 0.38
NOD2 Q9HC29 1/20 0.38
PIK3CA P42336 2/20 0.38
JAK3 P52333 1/20 0.38
MAP4K4 O95819 1/20 0.38
LRRK2 Q5S007 3/20 0.37
HTT P42858 2/20 0.37
KDM1A O60341 1/20 0.37
TSHR P16473 2/20 0.36
PKM P14618 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL15308509 0.83 MEN1 (0.46) MEN1KMT2AKDM4EGAAPTK2
SCHEMBL3575815 0.80 KDM4E (0.49) MEN1KMT2AKDM4EGAAPTK2
SCHEMBL23344677 0.78 CYP11B1 (0.45) MEN1KMT2AKDM4EGAAPIK3CA
SCHEMBL23344653 0.77 KDM4E (0.41) MEN1KMT2AKDM4EPDE10AJAK3
SCHEMBL16643949 0.77 MEN1 (0.46) MEN1KMT2AKDM4EGAAPTK2
SCHEMBL16646727 0.74 MEN1 (0.49) MEN1KMT2AKDM4EGAAPTK2
SCHEMBL7708555 0.73 GAA (0.50) GAAPTK2PDE10AMAPK1LRRK2
SCHEMBL23344647 0.72 CYP1A2 (0.45) PTK2MAPK1PIK3CALRRK2MTOR
Hydrochloric Acid SCHEMBL7714267 0.72 GAA (0.49) GAAPTK2PDE10AMAPK1PIK3CA
SCHEMBL16702828 0.71 KDM4E (0.57) MEN1KMT2AKDM4EGAAPTK2

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 MEN1 3155/4885KMT2A 2211/4885KDM4E 3022/4885

“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.