SCHEMBL22987768

SCHEMBL22987768

CCn1cc(-c2nc3c4cccc(Br)c4nc(N[C@@H]4CN(C(=O)OCc5ccccc5)CCNC4=O)n3n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.34
PIK3CD O00329 2/20 0.33
JAK1 P23458 4/20 0.32
JAK2 O60674 3/20 0.32
JAK3 P52333 3/20 0.32
TYK2 P29597 2/20 0.32
PARP1 P09874 2/20 0.32
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
ENPP2 Q13822 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
ADORA1 P30542 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
LCK P06239 1/20 0.31
MAPT P10636 1/20 0.31
ACKR3 P25106 1/20 0.31
SPR P35270 1/20 0.30

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
SCHEMBL25118846 0.93 USP30 (0.35) USP30PIK3CDJAK1JAK2JAK3
SCHEMBL28730362 0.93 ADORA3 (0.35) USP30PIK3CDJAK1JAK2JAK3
SCHEMBL29649011 0.93 ADORA3 (0.35) USP30PIK3CDJAK1JAK2JAK3
SCHEMBL22988240 0.93 ADORA3 (0.35) USP30PIK3CDJAK1JAK2JAK3
SCHEMBL22987729 0.93 USP30 (0.35) USP30PIK3CDJAK1JAK2JAK3
SCHEMBL30393069 0.93 USP30 (0.34) USP30PIK3CDJAK1JAK2JAK3
SCHEMBL22988275 0.93 USP30 (0.34) USP30PIK3CDJAK1JAK2JAK3
SCHEMBL22988270 0.93 USP30 (0.34) USP30PIK3CDJAK1JAK2JAK3
SCHEMBL22987689 0.92 NR1H2 (0.34) USP30PIK3CDJAK1JAK2JAK3
SCHEMBL22987728 0.91 USP30 (0.33) USP30PIK3CDJAK1JAK2JAK3

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 2695/4885PIK3CD 2082/4885JAK1 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.