SCHEMBL29965131

SCHEMBL29965131

COCCN1CCC(c2ccc(-c3cc(-c4cc(F)c5c(c4)CCNC5=O)c(N)nc3F)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.36
TLR8 Q9NR97 3/20 0.36
TLR7 Q9NYK1 3/20 0.36
BRAF P15056 2/20 0.36
MAPK1 P28482 1/20 0.36
MAP3K12 Q12852 1/20 0.36
DRD2 P14416 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
GSK3B P49841 2/20 0.34
SYK P43405 1/20 0.34
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
TYRO3 Q06418 1/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
LYN P07948 1/20 0.33

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
SCHEMBL29964028 0.90 MAPK1 (0.46) TLR9TLR8TLR7BRAFMAPK1
SCHEMBL31079288 0.88 MAPK1 (0.38) TLR9TLR8TLR7MAPK1RIPK3
SCHEMBL29964120 0.87 DRD2 (0.38) TLR9TLR8TLR7BRAFMAPK1
SCHEMBL29963906 0.85 MAPK1 (0.38) TLR9TLR8TLR7MAPK1RIPK3
SCHEMBL29964793 0.84 MAPK1 (0.42) MAPK1RIPK3TNKSPARP1TNKS2
SCHEMBL29964245 0.82 JAK2 (0.43) SYK
SCHEMBL31079045 0.82 MAPK1 (0.42) BRAFMAPK1MAP3K12GSK3BCCNT1
SCHEMBL29964059 0.81 MAPK1 (0.46) TLR9TLR8TLR7BRAFMAPK1
SCHEMBL29964716 0.80 MAPK1 (0.39) BRAFMAPK1MAP3K12GSK3BFGFR1
SCHEMBL29964721 0.80 MAPK1 (0.49) TLR9TLR8TLR7MAPK1DRD2

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-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-10-17 US disclosed
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 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-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) CMPK1, WNK1, AAK1 TLR9 4748/4885TLR8 4558/4885TLR7 3919/4885

“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.