SCHEMBL22988249

SCHEMBL22988249

FC(F)(F)c1cccc2c1nc(Cl)n1nc(-c3cc[nH]n3)nc21

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.32
NR1H3 Q13133 10/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PARP1 P09874 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NCF1 P14598 1/20 0.30
ESR1 P03372 1/20 0.30
NR1I2 O75469 1/20 0.30
NR3C1 P04150 1/20 0.30
AR P10275 1/20 0.30
RXRA P19793 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
SCHEMBL22987757 0.82 ADORA2A (0.38) NR1H2NR1H3ADORA3ADORA2AADORA1
SCHEMBL22988197 0.81 ALDH1A1 (0.34) NR1H2NR1H3ADORA3ADORA2AADORA1
SCHEMBL22987708 0.79 NR1H2 (0.48) NR1H2NR1H3ADORA3ADORA2AADORA1
SCHEMBL22987675 0.79 EGFR (0.38) NR1H2NR1H3ADORA3ADORA2A
SCHEMBL30393843 0.79 PARP1 (0.37) NR1H2NR1H3PARP1HSD17B10NCF1
SCHEMBL22987505 0.79 NR1H2 (0.41) NR1H2NR1H3ALDH1A1KDM4EESR1
SCHEMBL22987510 0.78 NR1H2 (0.50) NR1H2NR1H3ADORA3ADORA2AADORA1
SCHEMBL22987660 0.78 POLB (0.48) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL22979328 0.77 ADORA3 (0.45) ADORA3ADORA1SMN1; SMN2
SCHEMBL22987697 0.77 GABRP (0.40) ALDH1A1KDM4ESMN1; SMN2HSD17B10

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 NR1H2 296/4885NR1H3 422/4885ADORA3 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.