SCHEMBL21596779

SCHEMBL21596779

COc1cc(-c2ccccn2)cc(F)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 6/20 0.53
ERN1 O75460 1/20 0.48
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM5 P41594 3/20 0.41
KAT6A Q92794 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL31605559 1.00 SQOR (0.53) SQORERN1ADORA2AADORA1ALDH1A1
SCHEMBL31432885 0.90 ERN1 (0.53) SQORERN1ADORA2AADORA1ALDH1A1
SCHEMBL28136895 0.85 SQOR (0.49) SQORALDH1A1MAPTGRM5SMN1; SMN2
SCHEMBL12274337 0.84 SQOR (0.48) SQORALDH1A1MAPTGRM5SMN1; SMN2
SCHEMBL28074923 0.84 SQOR (0.48) SQORALDH1A1MAPTGRM5SMN1; SMN2
SCHEMBL244521 0.84 SQOR (0.48) SQORALDH1A1MAPTGRM5SMN1; SMN2
SCHEMBL5752318 0.80 SQOR (0.49) SQORADORA2AADORA1ALDH1A1NPC1
SCHEMBL15709345 0.80 ADORA2A (0.47) SQORADORA2AADORA1ALDH1A1
SCHEMBL1318923 0.78 ADORA2A (0.44) ADORA2AADORA1ALDH1A1MAPTL3MBTL1
SCHEMBL9815139 0.77 ALDH1A1 (0.58) SQORERN1ALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260062393-A1 Compounds CTXT PTY LTD (AU) 2026-03-05 US disclosed
US-12365655-B2 Compounds CTXT PTY LTD (AU) 2025-07-22 US disclosed
EP-4335439-A2 COMPOUNDS CTXT PTY LTD (AU) 2024-03-13 EP disclosed
EP-3810602-B1 COMPOUNDS CTXT PTY LTD (AU) 2023-11-01 EP disclosed
EP-3810602-B1 COMPOUNDS CTXT PTY LTD (AU) 2023-11-01 EP disclosed
US-20220153710-A1 Compounds CTXT PTY LTD (AU) 2022-05-19 US disclosed
US-20220153710-A1 Compounds CTXT PTY LTD (AU) 2022-05-19 US disclosed
EP-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
CN-112334466-A Compound (I) CTXT私人有限公司 2021-02-05 CN disclosed
US-20200039945-A1 Compounds CTXT PTY LIMITED (AU) 2020-02-06 US disclosed
US-20200039945-A1 Compounds CTXT PTY LIMITED (AU) 2020-02-06 US disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 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 (4 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-20220153710-A1 Compounds SLC10A1, ABCB11, PCSK9 SQOR 1053/4885ERN1 2074/4885ADORA2A 4338/4885
US-20200039945-A1 Compounds SLC10A1, ABCB11, PCSK9 SQOR 1053/4885ERN1 2075/4885ADORA2A 4335/4885
US-20260062393-A1 Compounds SCN2B, ABCB11, SCN1B SQOR 4561/4885ERN1 3732/4885ADORA2A 2191/4885
US-12365655-B2 Compounds SLC10A1, ABCB11, PCSK9 SQOR 1053/4885ERN1 2075/4885ADORA2A 4335/4885

“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.