SCHEMBL22987604

SCHEMBL22987604

N#Cc1ccc(-c2nc3c4cccc(Br)c4nc(N[C@@H]4CN(C(=O)OCc5ccccc5)CCNC4=O)n3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
PGGT1B P53609 3/20 0.37
USP30 Q70CQ3 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
JAK2 O60674 4/20 0.33
JAK1 P23458 4/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
ENPP2 Q13822 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA1 P30542 2/20 0.32
LCK P06239 1/20 0.32
MCHR1 Q99705 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CETP P11597 1/20 0.32

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
SCHEMBL22988108 0.92 TRPC3 (0.39) USP30KCNK3KCNK9JAK2JAK1
SCHEMBL22987722 0.92 TRPC3 (0.39) USP30KCNK3KCNK9JAK2JAK1
SCHEMBL22987799 0.92 TRPC3 (0.39) USP30KCNK3KCNK9JAK2JAK1
SCHEMBL22988082 0.91 FNTA (0.35) FNTAFNTBPGGT1BUSP30JAK2
SCHEMBL22987600 0.91 ADORA3 (0.40) ADORA3ADORA1
SCHEMBL29646480 0.91 ADORA3 (0.40) ADORA3ADORA1
SCHEMBL22988011 0.91 ADORA3 (0.40) ADORA3ADORA1
SCHEMBL22987640 0.91 MAPT (0.40) FNTAFNTBPGGT1BUSP30LCK
SCHEMBL22988202 0.90 MMP1 (0.36) USP30KCNK3KCNK9JAK2JAK1
SCHEMBL22988315 0.89 ROCK2 (0.38) USP30KCNK3KCNK9JAK2JAK1

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-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 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 (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-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 FNTA 4469/4885FNTB 4587/4885PGGT1B 1267/4885

“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.