SCHEMBL20004978

SCHEMBL20004978

CN(C)c1ccc(C#Cc2cc3cnccc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SNCA P37840 12/20 1.00
MAPT P10636 8/20 1.00
AURKA O14965 1/20 0.44
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1A Q13627 1/20 0.40
DAO P14920 1/20 0.39
APP P05067 2/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM5 P08912 1/20 0.37
CHKA P35790 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL20004999 0.89 SNCA (1.00) SNCAMAPTAURKADAOAPP
SCHEMBL20004389 0.75 SNCA (1.00) SNCAMAPTAURKADAOAPP
SCHEMBL20004310 0.74 SNCA (1.00) SNCAMAPTAURKADAO
SCHEMBL22537877 0.73 SNCA (0.75) SNCAMAPTAURKAAPP
SCHEMBL9804473 0.73 CHRM5 (0.62) SNCAMAPTAPPCHRM5CHKA
SCHEMBL20004518 0.72 SNCA (1.00) SNCAMAPTAPP
SCHEMBL21192534 0.72 MAPT (0.54) SNCAMAPT
SCHEMBL20004677 0.71 SNCA (1.00) SNCAMAPTAPP
SCHEMBL21115264 0.71 SNCA (1.00) SNCAMAPTAPP
SCHEMBL21147290 0.71 SNCA (0.72) SNCAMAPTAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 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 (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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT SNCA 4/4885MAPT 3/4885AURKA 3931/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT SNCA 2/4885MAPT 3/4885AURKA 3987/4885

“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.