SCHEMBL22987590

SCHEMBL22987590

FC(F)(F)Oc1ccc(Cl)cc1-c1nc2c3ccccc3nc(Cl)n2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.41
HPRT1 P00492 1/20 0.40
TP53 P04637 1/20 0.40
ADORA1 P30542 2/20 0.38
MAPT P10636 2/20 0.38
C1R P00736 1/20 0.36
IGF1R P08069 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PIK3CD O00329 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 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
MAPK1 P28482 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
THPO P40225 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
SCHEMBL22987584 0.92 ADORA3 (0.40) ADORA3HPRT1TP53ADORA1MAPT
SCHEMBL22988173 0.90 ADORA3 (0.41) ADORA3HPRT1TP53ADORA1MAPT
SCHEMBL29646400 0.90 C1R (0.42) ADORA3ADORA1MAPTC1R
SCHEMBL22979544 0.90 C1R (0.42) ADORA3ADORA1MAPTC1R
SCHEMBL22987661 0.89 ADORA3 (0.40) ADORA3ADORA1C1RADORA2AADORA2B
SCHEMBL22987958 0.85 ADORA3 (0.39) ADORA3HPRT1TP53ADORA1MAPT
SCHEMBL22987592 0.84 MCHR1 (0.39) ADORA3ADORA1C1RCSNK1A1CSNK1D
SCHEMBL22987666 0.82 HSP90AB1 (0.43) ADORA3MAPTRXFP1KDM4ELMNA
SCHEMBL30394175 0.82 RAB9A (0.52) HPRT1MAPTIGF1RRXFP1KDM4E
SCHEMBL22987582 0.80 ADORA3 (0.40) ADORA3TP53ADORA1MAPT

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 34/4885HPRT1 1126/4885TP53 242/4885

“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.