SCHEMBL22987791

SCHEMBL22987791

CC(C)n1cc(-c2nc3c4cccc(Cl)c4nc(N[C@@H]4CN(C(=O)OCc5ccccc5)CCNC4=O)n3n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.33
TRPC7 Q9HCX4 1/20 0.33
USP30 Q70CQ3 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.32
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
PARP1 P09874 4/20 0.32
LCK P06239 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TNKS O95271 2/20 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
SCHEMBL29646426 0.93 ADORA3 (0.35) TRPC3TRPC7USP30JAK2JAK1
SCHEMBL22987521 0.93 ADORA3 (0.35) TRPC3TRPC7USP30JAK2JAK1
SCHEMBL29646014 0.93 NR1H2 (0.33) TRPC3TRPC7USP30TP53MAPT
SCHEMBL22987728 0.93 USP30 (0.33) USP30TP53MAPTPPARGJAK2
SCHEMBL22988242 0.93 USP30 (0.33) USP30TP53MAPTPPARGJAK2
SCHEMBL22988001 0.93 NR1H2 (0.33) TRPC3TRPC7USP30TP53MAPT
SCHEMBL25118615 0.92 JAK2 (0.34) TRPC3TRPC7USP30TP53MAPT
SCHEMBL25118878 0.92 NR1H2 (0.37) TRPC3TRPC7USP30TP53MAPT
SCHEMBL22987658 0.92 NR1H2 (0.37) TRPC3TRPC7USP30TP53MAPT
SCHEMBL25118622 0.92 USP30 (0.32) USP30TP53MAPTJAK2JAK1

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 953/4885USP30 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.