SCHEMBL22979154

SCHEMBL22979154

O=C1NCCCC[C@H]1Nc1nc2cccc(Br)c2c2nc(-c3ccc(F)cc3)nn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
GRIA1 P42261 1/20 0.38
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
FPR2 P25090 1/20 0.37
SCN9A Q15858 1/20 0.37
XDH P47989 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 1/20 0.33
APOL1 O14791 1/20 0.32
RAB9A P51151 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADORA3 P0DMS8 3/20 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
SCHEMBL29648840 1.00 ADORA2A (0.41) ADORA2AADORA1GRIA1MKNK1MKNK2
SCHEMBL22979915 0.92 KDM4E (0.39) ADORA2AADORA1GRIA1MKNK1MKNK2
SCHEMBL29648549 0.92 KDM4E (0.39) ADORA2AADORA1GRIA1MKNK1MKNK2
SCHEMBL29648558 0.90 ADORA2A (0.41) ADORA2AADORA1GRIA1MKNK1MKNK2
SCHEMBL22987871 0.90 ADORA2A (0.41) ADORA2AADORA1GRIA1MKNK1MKNK2
SCHEMBL22979095 0.89 ALDH1A1 (0.41) ADORA2AADORA1MKNK1MKNK2SCN9A
SCHEMBL29646394 0.89 ALDH1A1 (0.41) ADORA2AADORA1MKNK1MKNK2SCN9A
SCHEMBL22980234 0.88 ADORA1 (0.40) ADORA2AADORA1GRIA1MKNK1MKNK2
SCHEMBL29648555 0.88 ADORA1 (0.40) ADORA2AADORA1GRIA1MKNK1MKNK2
SCHEMBL22979383 0.88 XDH (0.34) ADORA2AADORA1GRIA1FPR2SCN9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO claimed
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 ADORA2A 103/4885ADORA1 21/4885GRIA1 890/4885

“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.