SCHEMBL22987660

SCHEMBL22987660

COc1ccc(-c2nc3c4cccc(C(F)(F)F)c4nc(Cl)n3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ADORA3 P0DMS8 9/20 0.45
ADORA1 P30542 4/20 0.43
ADORA2A P29274 2/20 0.43
ENPP1 P22413 2/20 0.43
ENPP3 O14638 1/20 0.43
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
XDH P47989 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL22987708 0.89 NR1H2 (0.48) ADORA3ADORA1ADORA2AMAPTXDH
SCHEMBL22987510 0.87 NR1H2 (0.50) ADORA3ADORA1ADORA2AXDHTP53
SCHEMBL22987462 0.86 KDM4E (0.50) POLBKDM4EALDH1A1ADORA3ADORA1
SCHEMBL22988147 0.86 KDM4E (0.52) POLBKDM4EALDH1A1ADORA3ADORA1
SCHEMBL22987426 0.85 KDM4E (0.51) POLBKDM4EALDH1A1ADORA3ADORA1
SCHEMBL22987552 0.85 KDM4E (0.51) POLBKDM4EALDH1A1ADORA3ADORA1
SCHEMBL22979677 0.84 KDM4E (0.50) POLBKDM4EALDH1A1ADORA3ADORA1
SCHEMBL22988097 0.83 PDPK1 (0.40) ADORA3ADORA1ADORA2A
SCHEMBL22987474 0.83 ADORA3 (0.43) POLBKDM4EALDH1A1ADORA3ADORA1
SCHEMBL22988095 0.82 KDM4E (0.48) POLBKDM4EALDH1A1ADORA3ADORA1

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 POLB 4033/4885KDM4E 1364/4885ALDH1A1 597/4885

“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.