SCHEMBL22987782

SCHEMBL22987782

O=C1NCCN(C(=O)OCc2ccccc2)C[C@H]1Nc1nc2c(Br)cccc2c2nc(-c3cnn(C4CC4)c3)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.34
JAK2 O60674 4/20 0.33
JAK1 P23458 3/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
MERTK Q12866 3/20 0.32
AXL P30530 2/20 0.32
LCK P06239 1/20 0.32
PAK1 Q13153 1/20 0.32
MET P08581 1/20 0.32
TYRO3 Q06418 1/20 0.32
F2 P00734 1/20 0.32
F12 P00748 1/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
ENPP2 Q13822 2/20 0.31
PARP1 P09874 1/20 0.31
PIK3CD O00329 1/20 0.31
GRIN2B Q13224 2/20 0.31
CYP3A4 P08684 1/20 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
SCHEMBL22988211 1.00 USP30 (0.34) USP30JAK2JAK1TYK2JAK3
SCHEMBL22987804 0.93 USP30 (0.34) USP30JAK2JAK1TYK2JAK3
SCHEMBL29649011 0.92 ADORA3 (0.35) USP30JAK2JAK1TYK2JAK3
SCHEMBL22988240 0.92 ADORA3 (0.35) USP30JAK2JAK1TYK2JAK3
SCHEMBL28730362 0.92 ADORA3 (0.35) USP30JAK2JAK1TYK2JAK3
SCHEMBL25118846 0.91 USP30 (0.35) USP30JAK2JAK1TYK2JAK3
SCHEMBL22987754 0.91 NR1H2 (0.34) USP30JAK2JAK1TYK2JAK3
SCHEMBL30393384 0.91 NR1H2 (0.34) USP30JAK2JAK1TYK2JAK3
SCHEMBL22987752 0.91 NR1H2 (0.34) USP30JAK2JAK1TYK2JAK3
SCHEMBL30393404 0.91 NR1H2 (0.34) USP30JAK2JAK1TYK2JAK3

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 USP30 2695/4885JAK2 94/4885JAK1 115/4885

“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.