SCHEMBL22987658

SCHEMBL22987658

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
PROKR1 Q8TCW9 1/20 0.33
TRPC3 Q13507 2/20 0.32
TRPC7 Q9HCX4 2/20 0.32
PARP1 P09874 1/20 0.32
USP30 Q70CQ3 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
JAK2 O60674 3/20 0.31
JAK1 P23458 3/20 0.31
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 0.31
LCK P06239 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
BCL9 O00512 2/20 0.31
CTNNB1 P35222 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
SCHEMBL25118878 1.00 NR1H2 (0.37) NR1H2NR1H3PROKR1TRPC3TRPC7
SCHEMBL22988001 0.93 NR1H2 (0.33) NR1H2NR1H3TRPC3TRPC7PARP1
SCHEMBL29646014 0.93 NR1H2 (0.33) NR1H2NR1H3TRPC3TRPC7PARP1
SCHEMBL22987467 0.93 NR1H2 (0.35) NR1H2NR1H3TRPC3TRPC7PARP1
SCHEMBL22987728 0.92 USP30 (0.33) NR1H2NR1H3PARP1USP30TP53
SCHEMBL22987791 0.92 TRPC3 (0.33) NR1H2NR1H3TRPC3TRPC7PARP1
SCHEMBL22988242 0.92 USP30 (0.33) NR1H2NR1H3PARP1USP30TP53
SCHEMBL22987752 0.92 NR1H2 (0.34) NR1H2NR1H3TRPC3TRPC7PARP1
SCHEMBL22987754 0.92 NR1H2 (0.34) NR1H2NR1H3TRPC3TRPC7PARP1
SCHEMBL25118615 0.92 JAK2 (0.34) TRPC3TRPC7PARP1USP30TP53

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 NR1H2 296/4885NR1H3 422/4885PROKR1 329/4885

“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.