SCHEMBL22987592

SCHEMBL22987592

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.39
ADRA2A P08913 11/20 0.39
ADORA3 P0DMS8 3/20 0.39
NPY5R Q15761 8/20 0.38
ADORA1 P30542 1/20 0.38
ALPL P05186 1/20 0.36
C1R P00736 1/20 0.36
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL22987661 0.93 ADORA3 (0.40) MCHR1ADRA2AADORA3NPY5RADORA1
SCHEMBL22987584 0.89 ADORA3 (0.40) ADORA3ADORA1C1RCSNK1A1CSNK1D
SCHEMBL22987958 0.88 ADORA3 (0.39) ADORA3ADORA1C1R
SCHEMBL22979544 0.87 C1R (0.42) ADORA3ADORA1C1R
SCHEMBL29646400 0.87 C1R (0.42) ADORA3ADORA1C1R
SCHEMBL22987666 0.85 HSP90AB1 (0.43) ADORA3
SCHEMBL22987588 0.85 ADORA3 (0.39) ADORA3ADORA1CSNK1A1CSNK1DCSNK1E
SCHEMBL22987590 0.84 ADORA3 (0.41) ADORA3ADORA1C1RCSNK1A1CSNK1D
SCHEMBL22987555 0.83 ADORA3 (0.43) ADORA3ADORA1CSNK1A1CSNK1DCSNK1E
SCHEMBL22988173 0.83 ADORA3 (0.41) ADORA3ADORA1C1R

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 MCHR1 185/4885ADRA2A 207/4885ADORA3 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.