SCHEMBL1333233

SCHEMBL1333233

S=C=Nc1ccc(C#Cc2ccncc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.45
MIF P14174 1/20 0.45
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
FFAR1 O14842 1/20 0.39
GRM5 P41594 3/20 0.37
HDAC8 Q9BY41 1/20 0.37
HSD17B10 Q99714 1/20 0.35
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CG P48736 1/20 0.34
PDK1 Q15118 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
CHRM2 P08172 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
APLNR P35414 1/20 0.33

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
SCHEMBL5572886 0.83
SCHEMBL5725177 0.79 P2RY6 (0.48) P2RY6MIFCA1CA2HSD17B10
SCHEMBL2217784 0.79 MIF (0.67) P2RY6MIFCA1CA2FFAR1
SCHEMBL23051721 0.78 P2RY6 (0.47) P2RY6MIFCA1CA2FFAR1
SCHEMBL14996343 0.78 APP (0.48) P2RY6MIFCA1CA2HSD17B10
SCHEMBL17225183 0.78 P2RY6 (0.47) P2RY6MIFCA1CA2FFAR1
SCHEMBL19057508 0.78 P2RY6 (0.47) P2RY6MIFCA1CA2HSD17B10
SCHEMBL14996360 0.78 APP (0.48) P2RY6MIFCA1CA2HSD17B10
SCHEMBL1649302 0.78 HDAC8 (0.55) FFAR1GRM5HDAC8PIK3CAMTOR
SCHEMBL19174378 0.75 P2RY6 (0.48) P2RY6MIFCA1CA2HSD17B10

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-20110282031-A1 A1 ADENOSINE RECEPTOR DIAGNOSTIC PROBES WILSON CONSTANCE N (US) 2011-11-17 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-20110282031-A1 A1 ADENOSINE RECEPTOR DIAGNOSTIC PROBES ADORA1, ADORA3, ADORA2A P2RY6 41/4885MIF 3477/4885CA1 2649/4885

“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.