SCHEMBL22987909

SCHEMBL22987909

O=C1NCCNC[C@H]1Nc1nc2cccc(C(F)(F)F)c2c2nc(-c3ccc(F)cc3)nn12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.33
ADORA1 P30542 3/20 0.33
XDH P47989 1/20 0.33
MAPT P10636 1/20 0.32
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
GRIA1 P42261 1/20 0.31
ADORA2A P29274 1/20 0.31
PDE10A Q9Y233 1/20 0.30
HTR2C P28335 3/20 0.30
HTR2B P41595 3/20 0.30
HTR2A P28223 2/20 0.30
NR1H2 P55055 2/20 0.30
NR1H3 Q13133 2/20 0.30
NR1I2 O75469 1/20 0.30
NR3C1 P04150 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
SCHEMBL29645993 1.00 ADORA3 (0.33) ADORA3ADORA1XDHMAPTFPR2
SCHEMBL22988384 0.93 PLAT (0.34) MAPTSCN9APDE10A
SCHEMBL29645847 0.93 PLAT (0.34) MAPTSCN9APDE10A
SCHEMBL22988281 0.91 MAPT (0.37) ADORA3ADORA1XDHMAPT
SCHEMBL29645425 0.91 MAPT (0.37) ADORA3ADORA1XDHMAPT
SCHEMBL29648555 0.89 ADORA1 (0.40) ADORA3ADORA1XDHMAPTFPR2
SCHEMBL22980234 0.89 ADORA1 (0.40) ADORA3ADORA1XDHMAPTFPR2
SCHEMBL22988343 0.88 XDH (0.34) ADORA3ADORA1XDHMAPTFPR2
SCHEMBL22980999 0.88 ADORA3 (0.37) ADORA3ADORA1XDHMAPTFPR2
SCHEMBL22979383 0.88 XDH (0.34) ADORA3ADORA1XDHMAPTFPR2

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 ADORA3 34/4885ADORA1 21/4885XDH 1545/4885

“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.