SCHEMBL22987675

SCHEMBL22987675

FC(F)(F)c1cccc2c1nc(Cl)n1nc(-c3cn[nH]c3)nc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
P2RX7 Q99572 2/20 0.38
ADORA3 P0DMS8 2/20 0.34
XDH P47989 2/20 0.34
NR1H2 P55055 6/20 0.34
NR1H3 Q13133 6/20 0.34
ADORA2A P29274 1/20 0.33
PPARG P37231 1/20 0.33
RORC P51449 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
GRM2 Q14416 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
SCHEMBL22988089 0.83 HSP90AB1 (0.41) ADORA2AROCK2ROCK1
SCHEMBL22987708 0.83 NR1H2 (0.48) ADORA3XDHNR1H2NR1H3ADORA2A
SCHEMBL22987510 0.82 NR1H2 (0.50) ADORA3XDHNR1H2NR1H3ADORA2A
SCHEMBL22987660 0.81 POLB (0.48) ADORA3XDHADORA2A
SCHEMBL29646424 0.80 ADORA3 (0.38) P2RX7ADORA3NR1H2NR1H3ADORA2A
SCHEMBL22978982 0.80 ADORA3 (0.38) P2RX7ADORA3NR1H2NR1H3ADORA2A
SCHEMBL22979629 0.80 PIK3CD (0.37) ADORA3XDHADORA2A
SCHEMBL22988248 0.80 HSP90AA1 (0.35) ADORA3NR1H2NR1H3ADORA2A
SCHEMBL22987630 0.80 PDK2 (0.36) ADORA3NR1H2NR1H3ADORA2A
SCHEMBL22987505 0.80 NR1H2 (0.41) NR1H2NR1H3

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 EGFR 1152/4885P2RX7 76/4885ADORA3 34/4885

“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.