SCHEMBL22987992

SCHEMBL22987992

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 2/20 0.41
TRPC7 Q9HCX4 2/20 0.41
ADORA3 P0DMS8 6/20 0.38
ADORA2A P29274 4/20 0.38
ADORA1 P30542 4/20 0.38
USP30 Q70CQ3 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
MAPT P10636 1/20 0.34
MGLL Q99685 1/20 0.33
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
PARP1 P09874 1/20 0.33
ENPP2 Q13822 2/20 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
SCHEMBL30393336 1.00 TRPC3 (0.41) TRPC3TRPC7ADORA3ADORA2AADORA1
SCHEMBL22987671 0.94 TRPC3 (0.41) TRPC3TRPC7ADORA3ADORA2AADORA1
SCHEMBL22987656 0.93 ADORA3 (0.40) TRPC3TRPC7ADORA3ADORA2AADORA1
SCHEMBL22988082 0.92 FNTA (0.35) TRPC3TRPC7USP30NR1H2NR1H3
SCHEMBL22987465 0.91 TP53 (0.39) TRPC3TRPC7USP30NR1H2NR1H3
SCHEMBL22987722 0.91 TRPC3 (0.39) TRPC3TRPC7ADORA3ADORA2AADORA1
SCHEMBL22987467 0.90 NR1H2 (0.35) TRPC3TRPC7ADORA3ADORA2AADORA1
SCHEMBL22988083 0.90 TRPC3 (0.35) TRPC3TRPC7ADORA3USP30NR1H2
SCHEMBL22987753 0.88 TRPC3 (0.39) TRPC3TRPC7ADORA3ADORA2AADORA1
SCHEMBL22988174 0.88 TRPC3 (0.39) TRPC3TRPC7ADORA3ADORA2AADORA1

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 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.