SCHEMBL29964448

SCHEMBL29964448

COc1cc(-c2cc(-c3ccc4c(c3)CCNC4=O)c(N)nc2F)ccc1OC1CCN(C(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.40
MAPK1 P28482 1/20 0.40
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
HRH3 Q9Y5N1 5/20 0.37
CYP2D6 P10635 1/20 0.37
SYK P43405 2/20 0.37
MAPK9 P45984 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PDE4B Q07343 1/20 0.36
GSK3B P49841 1/20 0.35
SLC5A7 Q9GZV3 2/20 0.35
KMT2A Q03164 1/20 0.35
FLT3 P36888 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL31079217 0.92 MAPK1 (0.41) MAPKAPK2MAPK1HRH3CYP2D6SYK
SCHEMBL31079223 0.91 MAPK1 (0.41) MAPKAPK2MAPK1HRH3CYP2D6SYK
SCHEMBL31079228 0.89 HRH3 (0.43) MAPKAPK2MAPK1TLR9TLR8TLR7
SCHEMBL31079235 0.89 HRH3 (0.43) MAPKAPK2MAPK1TLR9TLR8TLR7
SCHEMBL31079229 0.89 MAPK1 (0.39) MAPKAPK2MAPK1HRH3CYP2D6SYK
SCHEMBL29964663 0.89 MAPK1 (0.41) MAPKAPK2MAPK1HRH3CYP2D6MAPK9
SCHEMBL29964177 0.89 HRH3 (0.45) MAPKAPK2MAPK1HRH3CYP2D6MAPK9
SCHEMBL29964377 0.89 MAPK1 (0.43) MAPKAPK2MAPK1SYKMAPK9PARP10
SCHEMBL29964617 0.88 MAPKAPK2 (0.40) MAPKAPK2MAPK1TLR7PARP10PARP11
SCHEMBL31079202 0.88 MAPK1 (0.40) MAPKAPK2MAPK1HRH3CYP2D6SYK

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 MAPKAPK2 79/4885MAPK1 141/4885TLR9 4748/4885

“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.