SCHEMBL21147289

SCHEMBL21147289

Nc1cccc(C#Cc2cc3c([nH]2)=NCCC=3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PDK1 Q15118 1/20 0.38
FFAR1 O14842 1/20 0.33
IKBKB O14920 1/20 0.32
ADRB2 P07550 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
TNNI3 P19429 1/20 0.31
TNNT2 P45379 1/20 0.31
TNNC1 P63316 1/20 0.31
CYP3A4 P08684 1/20 0.31
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
HCRTR1 O43613 1/20 0.30
ABL1 P00519 1/20 0.30
RET P07949 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL22537832 0.93 PIK3CA (0.36) PIK3CAMTORPDK1FFAR1IKBKB
SCHEMBL21147086 0.85 GRM5 (0.41) FFAR1
SCHEMBL20005013 0.85 GRM5 (0.40)
SCHEMBL20005146 0.77 SNCA (0.36) FFAR1
SCHEMBL20004453 0.77 SNCA (0.36)
SCHEMBL20005163 0.76 MAPT (0.44)
SCHEMBL21147267 0.75 SNCA (0.51)
SCHEMBL20004515 0.71 APP (0.38)
SCHEMBL22537807 0.70 ACACB (0.34) FFAR1
SCHEMBL22537854 0.69

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 2 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
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

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 PIK3CA 3148/4885MTOR 1290/4885PDK1 1034/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT PIK3CA 3157/4885MTOR 1550/4885PDK1 950/4885

“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.