SCHEMBL22987757

SCHEMBL22987757

Cn1ccc(-c2nc3c4cccc(C(F)(F)F)c4nc(Cl)n3n2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA1 P30542 2/20 0.38
P2RX7 Q99572 4/20 0.35
NTRK1 P04629 2/20 0.34
IKBKB O14920 1/20 0.34
NR1H2 P55055 6/20 0.33
NR1H3 Q13133 6/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL22988249 0.82 NR1H2 (0.32) ADORA2AADORA3ADORA1NR1H2NR1H3
SCHEMBL22987708 0.81 NR1H2 (0.48) ADORA2AADORA3ADORA1NR1H2NR1H3
SCHEMBL29646424 0.81 ADORA3 (0.38) ADORA2AADORA3ADORA1P2RX7NR1H2
SCHEMBL22987632 0.81 ADORA3 (0.40) ADORA2AADORA3ADORA1NR1H2NR1H3
SCHEMBL22978982 0.81 ADORA3 (0.38) ADORA2AADORA3ADORA1P2RX7NR1H2
SCHEMBL22987510 0.80 NR1H2 (0.50) ADORA2AADORA3ADORA1NR1H2NR1H3
SCHEMBL22988222 0.80 ALDH1A1 (0.35) ADORA2AADORA3ADORA1NR1H2NR1H3
SCHEMBL22988026 0.80 HTT (0.35) ADORA2AADORA3ADORA1NR1H2NR1H3
SCHEMBL22987505 0.78 NR1H2 (0.41) NR1H2NR1H3ALDH1A1
SCHEMBL22988072 0.78 ADORA3 (0.33) ADORA2AADORA3ADORA1NR1H2NR1H3

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 ADORA2A 103/4885ADORA3 34/4885ADORA1 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.