SCHEMBL25118697

SCHEMBL25118697

N#Cc1cccc2c1nc(Cl)n1nc(-c3cnn(C4CCC4)c3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.38
PAK1 Q13153 1/20 0.33
CLK2 P49760 2/20 0.33
LRRK2 Q5S007 2/20 0.33
PIM1 P11309 1/20 0.32
AKT1 P31749 1/20 0.32
JAK2 O60674 3/20 0.32
KDM5B Q9UGL1 1/20 0.32
MAP3K7 O43318 1/20 0.32
TAB1 Q15750 1/20 0.32
PIK3CD O00329 3/20 0.31
PIK3R1 P27986 2/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP3A5 P20815 2/20 0.31
CYP3A7 P24462 2/20 0.31
CYP2C19 P33261 2/20 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
SCHEMBL22988110 0.96 KDM5A (0.36) KDM5APAK1PIM1AKT1KDM5B
SCHEMBL22988111 0.85 CLK2 (0.36) PAK1CLK2LRRK2PIM1JAK2
SCHEMBL22987760 0.85 CLK2 (0.34) KDM5APAK1CLK2LRRK2PIM1
SCHEMBL22987741 0.84 PIK3CD (0.41) PIK3CDPIK3R1
SCHEMBL22988153 0.84 IRAK4 (0.36) CLK2LRRK2PIM1JAK2JAK1
SCHEMBL30393332 0.83 CHRNB2 (0.37) PAK1PIM1JAK2PIK3CDCYP1A2
SCHEMBL22988265 0.83 CHRNB2 (0.37) PAK1PIM1JAK2PIK3CDCYP1A2
SCHEMBL22988018 0.83 ADORA2A (0.42)
SCHEMBL22987742 0.80 JAK2 (0.37) KDM5AAKT1JAK2TYK2
SCHEMBL22979970 0.80 PIK3CD (0.33) AKT1JAK2PIK3CDTYK2

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 1 patent. 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

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 KDM5A 378/4885PAK1 1770/4885CLK2 1689/4885

“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.