SCHEMBL22987722

SCHEMBL22987722

O=C1NCCN(C(=O)OCc2ccccc2)C[C@H]1Nc1nc2c(Br)cccc2c2nc(-c3ccc(Cl)cc3)nn12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.39
TRPC7 Q9HCX4 1/20 0.39
ADORA3 P0DMS8 7/20 0.37
ADORA1 P30542 5/20 0.37
ADORA2A P29274 4/20 0.37
USP30 Q70CQ3 1/20 0.36
MAPT P10636 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
ENPP2 Q13822 2/20 0.34
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
LCK P06239 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
SCHEMBL22987799 0.93 TRPC3 (0.39) TRPC3TRPC7ADORA3ADORA1ADORA2A
SCHEMBL22988108 0.93 TRPC3 (0.39) TRPC3TRPC7ADORA3ADORA1ADORA2A
SCHEMBL29646480 0.92 ADORA3 (0.40) ADORA3ADORA1ADORA2AMAPT
SCHEMBL22987600 0.92 ADORA3 (0.40) ADORA3ADORA1ADORA2AMAPT
SCHEMBL22987604 0.92 FNTA (0.37) ADORA3ADORA1USP30KCNK3KCNK9
SCHEMBL22988011 0.92 ADORA3 (0.40) ADORA3ADORA1ADORA2AMAPT
SCHEMBL22988202 0.91 MMP1 (0.36) TRPC3TRPC7ADORA3ADORA1USP30
SCHEMBL30393336 0.91 TRPC3 (0.41) TRPC3TRPC7ADORA3ADORA1ADORA2A
SCHEMBL22987992 0.91 TRPC3 (0.41) TRPC3TRPC7ADORA3ADORA1ADORA2A
SCHEMBL22988315 0.90 ROCK2 (0.38) USP30KCNK3KCNK9ENPP2JAK2

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 3 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
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 TRPC3 905/4885TRPC7 953/4885ADORA3 34/4885

“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.