SCHEMBL22987530

SCHEMBL22987530

COc1ccc(-c2nc3c4c(Br)cccc4nc(NC4CN(C(=O)OCc5ccccc5)CCNC4=O)n3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.40
MMP1 P03956 4/20 0.40
MMP3 P08254 4/20 0.40
MMP7 P09237 3/20 0.40
MMP13 P45452 2/20 0.40
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
ADAM17 P78536 1/20 0.38
ADAM9 Q13443 1/20 0.38
ADORA3 P0DMS8 4/20 0.37
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
PARP1 P09874 1/20 0.35
GRIN2B Q13224 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL29648922 0.93 MMP9 (0.39) MMP9MMP1MMP3MMP7MMP13
SCHEMBL22988039 0.93 MMP9 (0.39) MMP9MMP1MMP3MMP7MMP13
SCHEMBL22979796 0.93 MMP9 (0.39) MMP9MMP1MMP3MMP7MMP13
SCHEMBL22988040 0.93 MMP9 (0.39) MMP9MMP1MMP3MMP7MMP13
SCHEMBL22988056 0.92 MMP9 (0.38) MMP9MMP1MMP3MMP7MMP13
SCHEMBL25118861 0.92 MMP9 (0.38) MMP9MMP1MMP3MMP7MMP13
SCHEMBL22987501 0.92 TRPC3 (0.39) MAPTADORA3ADORA2AADORA1GRIN2B
SCHEMBL22987677 0.92 MMP9 (0.38) MMP9MMP1MMP3MMP7MMP13
SCHEMBL22979870 0.91 MAPT (0.48) MMP9MMP1MMP3MMP7MMP13
SCHEMBL29646384 0.91 MAPT (0.48) MMP9MMP1MMP3MMP7MMP13

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 MMP9 4726/4885MMP1 4772/4885MMP3 4836/4885

“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.