SCHEMBL22979183

SCHEMBL22979183

O=C1NCCCC[C@H]1Nc1nc2c(Cl)cccc2c2nc(-c3cnn(C4CC4)c3)nn12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 6/20 0.33
ADORA2A P29274 4/20 0.33
ADORA1 P30542 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP3A5 P20815 2/20 0.33
CYP3A7 P24462 2/20 0.33
CYP2C19 P33261 2/20 0.33
PDK4 Q16654 2/20 0.33
CYP3A43 Q9HB55 2/20 0.33
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
PAK4 O96013 3/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
IRAK1 P51617 2/20 0.32
ADORA3 P0DMS8 3/20 0.31
ADORA2B P29275 3/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL29646142 1.00 PAK1 (0.33) PAK1ADORA2AADORA1CYP1A2CYP3A4
SCHEMBL22980138 0.91 ADORA2A (0.37) ADORA2AADORA1MKNK1MKNK2ADORA3
SCHEMBL29645871 0.91 ADORA2A (0.37) ADORA2AADORA1MKNK1MKNK2ADORA3
SCHEMBL29646077 0.90 PAK1 (0.34) PAK1CYP1A2CYP3A4CYP3A5CYP3A7
SCHEMBL22979075 0.90 PAK1 (0.34) PAK1CYP1A2CYP3A4CYP3A5CYP3A7
SCHEMBL22979395 0.89 HDAC1 (0.35) ADORA2AADORA1CYP1A2CYP3A4CYP3A5
SCHEMBL22979232 0.89 KDM5A (0.36) PAK1ADORA2AADORA1CYP1A2CYP3A4
SCHEMBL22980020 0.89 ADORA2A (0.38) PAK1ADORA2AADORA1
SCHEMBL22979892 0.88 ADORA2A (0.33) ADORA2AADORA1CYP1A2CYP3A4CYP3A5
SCHEMBL22979811 0.88 ADORA2A (0.34) ADORA2AADORA1MKNK1MKNK2ADORA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO claimed
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 PAK1 1770/4885ADORA2A 103/4885ADORA1 21/4885

“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.