SCHEMBL20004547

SCHEMBL20004547

Nc1cccc(C#Cc2cc3cccnc3[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
SNCA P37840 3/20 0.58
RIPK1 Q13546 8/20 0.48
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PDK1 Q15118 1/20 0.41
DAO P14920 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IKBKB O14920 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
SCHEMBL20004279 0.85 SNCA (0.68) MAPTSNCARIPK1DAOKDM4E
SCHEMBL22537818 0.83 SNCA (0.61) MAPTSNCARIPK1DAOCCNB2
SCHEMBL20004514 0.83 SNCA (0.58) MAPTSNCARIPK1DAO
SCHEMBL20005009 0.79 SNCA (0.64) MAPTSNCARIPK1DAOASIC3
SCHEMBL342758 0.77 MAPT (0.60) MAPTSNCARIPK1DAOCCNB2
SCHEMBL20005138 0.77 SNCA (0.72) MAPTSNCARIPK1DAOALDH1A1
SCHEMBL20005072 0.77 SNCA (0.68) MAPTSNCARIPK1DAOCCNB2
SCHEMBL21147053 0.74 SNCA (0.69) MAPTSNCARIPK1DAOCCNB2
SCHEMBL20004389 0.73 SNCA (1.00) MAPTSNCARIPK1DAOKDM4E
SCHEMBL20004519 0.73 SNCA (0.67) MAPTSNCARIPK1KDM4ECCNB2

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 MAPT 3/4885SNCA 4/4885RIPK1 3312/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT MAPT 3/4885SNCA 2/4885RIPK1 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.