SCHEMBL22987716

SCHEMBL22987716

Cn1nccc1-c1nc2c3cccc(C(F)(F)F)c3nc(N[C@@H]3CN(C(=O)OCc4ccccc4)CCNC3=O)n2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
USP30 Q70CQ3 1/20 0.34
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 2/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
TRPC3 Q13507 1/20 0.32
TRPC7 Q9HCX4 1/20 0.32
SLC5A1 P13866 1/20 0.32
KDM4E B2RXH2 1/20 0.32
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 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
SCHEMBL22987467 0.89 NR1H2 (0.35) NR1H2NR1H3USP30JAK2JAK1
SCHEMBL22987671 0.88 TRPC3 (0.41) NR1H2NR1H3USP30JAK2JAK1
SCHEMBL30393336 0.88 TRPC3 (0.41) NR1H2NR1H3USP30JAK2JAK1
SCHEMBL22987992 0.88 TRPC3 (0.41) NR1H2NR1H3USP30JAK2JAK1
SCHEMBL22987465 0.88 TP53 (0.39) NR1H2NR1H3USP30TRPC3TRPC7
SCHEMBL22988318 0.87 BRD4 (0.38) NR1H2NR1H3USP30JAK2JAK1
SCHEMBL30393209 0.87 BRD4 (0.38) NR1H2NR1H3USP30JAK2JAK1
SCHEMBL22987995 0.87 BRD4 (0.38) NR1H2NR1H3USP30JAK2JAK1
SCHEMBL30393124 0.87 BRD4 (0.38) NR1H2NR1H3USP30JAK2JAK1
SCHEMBL22987656 0.87 ADORA3 (0.40) PARP1TRPC3TRPC7KDM4EADORA3

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 NR1H2 296/4885NR1H3 422/4885USP30 2695/4885

“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.