SCHEMBL22988083

SCHEMBL22988083

O=C1NCCN(C(=O)OCc2ccccc2)C[C@H]1Nc1nc2c(C(F)(F)F)cccc2c2nc(-c3ccc(Cl)cc3OC(F)(F)F)nn12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 2/20 0.35
TRPC7 Q9HCX4 2/20 0.35
MGLL Q99685 1/20 0.35
PTGDR2 Q9Y5Y4 7/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
USP30 Q70CQ3 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
BCL9 O00512 3/20 0.32
CTNNB1 P35222 3/20 0.32
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 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
SCHEMBL22987657 0.93 TRPC3 (0.35) TRPC3TRPC7MGLLPTGDR2HCRTR1
SCHEMBL30393336 0.90 TRPC3 (0.41) TRPC3TRPC7MGLLNR1H2NR1H3
SCHEMBL22987992 0.90 TRPC3 (0.41) TRPC3TRPC7MGLLNR1H2NR1H3
SCHEMBL29450045 0.87 PTGDR2 (0.34) TRPC3TRPC7MGLLPTGDR2HCRTR1
SCHEMBL22987465 0.86 TP53 (0.39) TRPC3TRPC7NR1H2NR1H3USP30
SCHEMBL22987995 0.85 BRD4 (0.38) TRPC3TRPC7NR1H2NR1H3ADORA3
SCHEMBL22988318 0.85 BRD4 (0.38) TRPC3TRPC7NR1H2NR1H3ADORA3
SCHEMBL30393124 0.85 BRD4 (0.38) TRPC3TRPC7NR1H2NR1H3ADORA3
SCHEMBL30393209 0.85 BRD4 (0.38) TRPC3TRPC7NR1H2NR1H3ADORA3
SCHEMBL22987671 0.85 TRPC3 (0.41) TRPC3TRPC7NR1H2NR1H3ADORA3

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 953/4885MGLL 4490/4885

“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.