SCHEMBL22987656

SCHEMBL22987656

COc1ccc(-c2nc3c4cccc(C(F)(F)F)c4nc(N[C@@H]4CN(C(=O)OCc5ccccc5)CCNC4=O)n3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
MMP9 P14780 5/20 0.38
MMP1 P03956 4/20 0.38
MMP3 P08254 4/20 0.38
MMP7 P09237 3/20 0.38
MMP13 P45452 2/20 0.38
MAPT P10636 3/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
ADAM17 P78536 1/20 0.36
ADAM9 Q13443 1/20 0.36
PARP1 P09874 1/20 0.36
TRPC3 Q13507 1/20 0.35
TRPC7 Q9HCX4 1/20 0.35

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
SCHEMBL22987671 0.94 TRPC3 (0.41) ADORA3ADORA2AADORA1MAPTTRPC3
SCHEMBL25118867 0.93 ADORA3 (0.40) ADORA3ADORA2AADORA1BCL9CTNNB1
SCHEMBL22987992 0.93 TRPC3 (0.41) ADORA3ADORA2AADORA1MAPTPARP1
SCHEMBL30393336 0.93 TRPC3 (0.41) ADORA3ADORA2AADORA1MAPTPARP1
SCHEMBL30393181 0.92 ADORA3 (0.40) ADORA3ADORA2AADORA1BCL9CTNNB1
SCHEMBL22987917 0.92 MAPT (0.42) ADORA3ADORA2AADORA1BCL9CTNNB1
SCHEMBL22988314 0.92 ADORA3 (0.40) ADORA3ADORA2AADORA1BCL9CTNNB1
SCHEMBL22988082 0.92 FNTA (0.35) ALDH1A1PARP1TRPC3TRPC7
SCHEMBL22988011 0.92 ADORA3 (0.40) ADORA3ADORA2AADORA1BCL9CTNNB1
SCHEMBL22987627 0.92 ADORA3 (0.40) ADORA3ADORA2AADORA1BCL9CTNNB1

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 ADORA3 34/4885ADORA2A 103/4885ADORA1 21/4885

“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.