SCHEMBL22987657

SCHEMBL22987657

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 2/20 0.35
TRPC7 Q9HCX4 2/20 0.35
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
MGLL Q99685 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
USP30 Q70CQ3 1/20 0.34
PTGDR2 Q9Y5Y4 5/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
BCL9 O00512 3/20 0.32
CTNNB1 P35222 3/20 0.32
PDE4B Q07343 1/20 0.31

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
SCHEMBL22988083 0.93 TRPC3 (0.35) TRPC3TRPC7JAK2JAK1MGLL
SCHEMBL30393336 0.89 TRPC3 (0.41) TRPC3TRPC7JAK2JAK1MGLL
SCHEMBL22987992 0.89 TRPC3 (0.41) TRPC3TRPC7JAK2JAK1MGLL
SCHEMBL22987465 0.85 TP53 (0.39) TRPC3TRPC7NR1H2NR1H3USP30
SCHEMBL22987995 0.84 BRD4 (0.38) TRPC3TRPC7JAK2JAK1NR1H2
SCHEMBL22988318 0.84 BRD4 (0.38) TRPC3TRPC7JAK2JAK1NR1H2
SCHEMBL30393209 0.84 BRD4 (0.38) TRPC3TRPC7JAK2JAK1NR1H2
SCHEMBL30393124 0.84 BRD4 (0.38) TRPC3TRPC7JAK2JAK1NR1H2
SCHEMBL22987671 0.84 TRPC3 (0.41) TRPC3TRPC7JAK2JAK1NR1H2
SCHEMBL22988435 0.84 JAK2 (0.30) JAK2JAK1

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 953/4885JAK2 94/4885

“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.