SCHEMBL22987618

SCHEMBL22987618

COc1ccc(-c2nc3c4cc(C(F)(F)F)ccc4nc(N[C@@H]4CN(C(=O)OCc5ccccc5)CCNC4=O)n3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 2/20 0.39
MMP9 P14780 3/20 0.37
MMP1 P03956 2/20 0.37
MMP3 P08254 2/20 0.37
MMP7 P09237 1/20 0.37
MMP13 P45452 1/20 0.37
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
USP30 Q70CQ3 1/20 0.36
TRPC3 Q13507 1/20 0.36
TRPC7 Q9HCX4 1/20 0.36
ADAM17 P78536 1/20 0.35
ADAM9 Q13443 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
SCHEMBL22987539 0.96 MAPT (0.40) ADORA3ADORA2AADORA1MAPTTHRB
SCHEMBL22987524 0.93 ADORA3 (0.42) ADORA3ADORA2AADORA1MAPTTHRB
SCHEMBL22987601 0.92 TP53 (0.40) ADORA3ADORA2AADORA1MAPTTHRB
SCHEMBL22987525 0.91 ADORA3 (0.45) ADORA3ADORA2AADORA1MAPTTHRB
SCHEMBL22987603 0.91 ADORA3 (0.45) ADORA3ADORA2AADORA1MAPTTHRB
SCHEMBL29646384 0.90 MAPT (0.48) ADORA3ADORA2AADORA1MAPTTHRB
SCHEMBL22979870 0.90 MAPT (0.48) ADORA3ADORA2AADORA1MAPTTHRB
SCHEMBL22987541 0.90 MAPT (0.43) ADORA3ADORA2AADORA1MAPTTHRB
SCHEMBL22987938 0.90 ADORA3 (0.41) ADORA3ADORA2AADORA1MAPTTHRB
SCHEMBL22987656 0.89 ADORA3 (0.40) ADORA3ADORA2AADORA1MAPTTHRB

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.