SCHEMBL29964484

SCHEMBL29964484

CC(=O)N1CCC(Oc2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.44
MAPK1 P28482 1/20 0.43
GSK3B P49841 1/20 0.41
IKBKB O14920 2/20 0.40
MAPKAPK2 P49137 5/20 0.40
CHUK O15111 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PARP10 Q53GL7 2/20 0.39
PARP11 Q9NR21 2/20 0.39
MAPK9 P45984 1/20 0.38
NAMPT P43490 1/20 0.38
PIK3CD O00329 1/20 0.37
CYP11B2 P19099 4/20 0.37
MLNR O43193 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL31079234 0.92 MAPK1 (0.45) MAPK1GSK3BMAPKAPK2PARP10PARP11
SCHEMBL29964396 0.92 MAPK1 (0.43) CHEK2MAPK1GSK3BMAPKAPK2PARP10
SCHEMBL31079274 0.91 MAPKAPK2 (0.40) CHEK2MAPK1GSK3BIKBKBMAPKAPK2
SCHEMBL29964708 0.91 MAPK1 (0.47) CHEK2MAPK1GSK3BMAPKAPK2PARP10
SCHEMBL29964688 0.90 CHEK2 (0.42) CHEK2GSK3BIKBKBMAPKAPK2CHUK
SCHEMBL31079321 0.90 MAPK1 (0.41) MAPK1GSK3BIKBKBMAPKAPK2CHUK
SCHEMBL29965015 0.90 CHEK2 (0.47) CHEK2MAPK1GSK3B
SCHEMBL29964399 0.89 MAPK1 (0.41) MAPK1GSK3BMAPKAPK2PARP10PARP11
SCHEMBL29964617 0.89 MAPKAPK2 (0.40) MAPK1GSK3BIKBKBMAPKAPK2CHUK
SCHEMBL29964177 0.88 HRH3 (0.45) MAPK1GSK3BMAPKAPK2PARP10PARP11

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 CHEK2 162/4885MAPK1 141/4885GSK3B 1000/4885

“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.