SCHEMBL22987591

SCHEMBL22987591

FC(F)Oc1cc(Cl)ccc1-c1nc2c3ccccc3nc(Cl)n2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.40
ADORA1 P30542 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.38
HPRT1 P00492 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ADORA2A P29274 2/20 0.36
LMNA P02545 2/20 0.36
PIK3CD O00329 1/20 0.36
GMNN O75496 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADORA2B P29275 1/20 0.36
THPO P40225 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL22987588 0.89 ADORA3 (0.39) ADORA3ADORA1MAPTTP53ADORA2A
SCHEMBL22987859 0.89 ADORA3 (0.42) ADORA3ADORA1MAPTTP53KMT2A
SCHEMBL22987584 0.84 ADORA3 (0.40) ADORA3ADORA1MAPTTP53HPRT1
SCHEMBL22987659 0.83 SCN9A (0.34) ADORA3ADORA1MAPTKDM4EMAPK1
SCHEMBL22987643 0.81 HSD11B1 (0.35) MAPTKMT2A
SCHEMBL29645931 0.80 MAPT (0.39) ADORA3MAPTTP53LMNA
SCHEMBL22987590 0.79 ADORA3 (0.41) ADORA3ADORA1MAPTTP53HPRT1
SCHEMBL22987948 0.79 GABRP (0.54) ADORA3TP53KDM4ERXFP1
SCHEMBL29646172 0.78 TP53 (0.42) ADORA3MAPTTP53KDM4ELMNA
SCHEMBL22981064 0.77 MAPT (0.37) ADORA3MAPTTP53RXFP1

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 21/4885MAPT 4047/4885

“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.