SCHEMBL20004519

SCHEMBL20004519

COc1ccc(C#Cc2cc3cccnc3[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 8/20 0.67
MAPT P10636 5/20 0.67
RIPK1 Q13546 4/20 0.60
CCNB2 O95067 2/20 0.60
CDK1 P06493 2/20 0.60
CCNB1 P14635 2/20 0.60
CCNB3 Q8WWL7 2/20 0.60
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
APP P05067 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
AURKA O14965 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40

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
SCHEMBL20005138 0.84 SNCA (0.72) SNCAMAPTRIPK1CCNB2CDK1
SCHEMBL20005052 0.83 SNCA (0.64) SNCAMAPTRIPK1CCNB2CDK1
SCHEMBL21147053 0.82 SNCA (0.69) SNCAMAPTRIPK1CCNB2CDK1
SCHEMBL20004279 0.81 SNCA (0.68) SNCAMAPTRIPK1APPKDM4E
SCHEMBL20005072 0.81 SNCA (0.68) SNCAMAPTRIPK1CCNB2CDK1
SCHEMBL20004389 0.81 SNCA (1.00) SNCAMAPTRIPK1CCNB2CDK1
SCHEMBL20004513 0.79 SNCA (0.59) SNCAMAPTRIPK1CCNB2CDK1
SCHEMBL20005009 0.78 SNCA (0.64) SNCAMAPTRIPK1
SCHEMBL20004574 0.77 SNCA (0.76) SNCAMAPTRIPK1CCNB2CDK1
SCHEMBL22930176 0.76 SNCA (0.77) SNCAMAPTRIPK1CCNB2CDK1

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 3/4885RIPK1 3312/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT SNCA 2/4885MAPT 3/4885RIPK1 3202/4885

“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.