SCHEMBL22495282

SCHEMBL22495282

COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccc(C#N)cn4)CC3)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 4/20 0.52
PPARG P37231 2/20 0.50
MAPT P10636 6/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RXFP1 Q9HBX9 2/20 0.48
MEN1 O00255 2/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GPR119 Q8TDV5 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
NR4A1 P22736 1/20 0.47
MCL1 Q07820 1/20 0.47
GPR6 P46095 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL31504260 1.00 PANK3 (0.52) PANK3PPARGMAPTKMT2AALDH1A1
SCHEMBL31504240 0.92 MAPT (0.53) PANK3MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL22495468 0.92 MAPT (0.53) PANK3MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL21771104 0.89 RAB9A (0.62) PANK3MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL22495342 0.84 MAPT (0.51) PANK3PPARGMAPTKMT2AALDH1A1
SCHEMBL31504201 0.84 MAPT (0.51) PANK3PPARGMAPTKMT2AALDH1A1
SCHEMBL31504233 0.84 PANK3 (0.50) PANK3PPARGMAPTALDH1A1SMN1; SMN2
SCHEMBL22495212 0.84 PANK3 (0.50) PANK3PPARGMAPTALDH1A1SMN1; SMN2
SCHEMBL22495435 0.84 MAPT (0.52) MAPTKMT2AALDH1A1SMN1; SMN2RXFP1
SCHEMBL31504237 0.84 MAPT (0.52) MAPTKMT2AALDH1A1SMN1; SMN2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP claimed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US claimed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US claimed
CN-111511732-A Radiolabelled compounds 豪夫迈·罗氏有限公司 2020-08-07 CN claimed
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
CN-111511732-A Radiolabelled compounds 豪夫迈·罗氏有限公司 2020-08-07 CN 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-11541132-B2 Radiolabeled compounds SNCA, APP, BACE1 PANK3 4765/4885PPARG 2897/4885MAPT 16/4885
US-20200316232-A1 RADIOLABELED COMPOUNDS SNCA, APP, BACE1 PANK3 4767/4885PPARG 3173/4885MAPT 17/4885

“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.