SCHEMBL22979075

SCHEMBL22979075

O=C1NCCNC[C@H]1Nc1nc2c(Cl)cccc2c2nc(-c3cnn(C4CC4)c3)nn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 7/20 0.34
PAK4 O96013 4/20 0.34
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
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
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
PKN1 Q16512 1/20 0.32
USP1 O94782 1/20 0.31
MET P08581 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
MAPK8 P45983 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
SCHEMBL29646077 1.00 PAK1 (0.34) PAK1PAK4CHRNB2CHRNA4CYP1A2
SCHEMBL22988293 0.91 CYP1A2 (0.33) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19
SCHEMBL22988292 0.91 CYP1A2 (0.33) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19
SCHEMBL22979183 0.90 PAK1 (0.33) PAK1PAK4CHRNB2CHRNA4CYP1A2
SCHEMBL29646142 0.90 PAK1 (0.33) PAK1PAK4CHRNB2CHRNA4CYP1A2
SCHEMBL22987891 0.90 RPLP1 (0.34) AXL
SCHEMBL22979833 0.89 MAP4K3 (0.32) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19
SCHEMBL29645628 0.89 MAP4K3 (0.32) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19
SCHEMBL22979180 0.89 MAP4K3 (0.32) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19
SCHEMBL22988279 0.89 PAK1 (0.35) PAK1CYP1A2CYP3A4CYP3A5CYP3A7

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 1770/4885PAK4 2430/4885CHRNB2 2157/4885

“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.