SCHEMBL29964258

SCHEMBL29964258

CC(C)(C)OC(=O)N1CCc2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
ESR2 Q92731 1/20 0.42
MAPK1 P28482 2/20 0.39
GSK3B P49841 1/20 0.38
MAPKAPK2 P49137 6/20 0.38
ROCK2 O75116 1/20 0.38
PARP10 Q53GL7 3/20 0.37
PARP11 Q9NR21 3/20 0.37
MAP3K5 Q99683 1/20 0.37
IGF1R P08069 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
MAPK9 P45984 1/20 0.36

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
SCHEMBL29965070 0.97 ESR2 (0.46) NR1H2ESR2MAPK1GSK3BMAPKAPK2
SCHEMBL29964480 0.89 ESR2 (0.44) NR1H2ESR2MAPK1MAPKAPK2ROCK2
SCHEMBL29964346 0.87 CDK9 (0.42)
SCHEMBL31079181 0.87 CDK9 (0.42)
SCHEMBL29964997 0.86 RET (0.40) MAPK1GSK3BMAPKAPK2GPR119MAPK9
SCHEMBL29964504 0.86 CDK9 (0.38) MAPK1GSK3BMAPKAPK2PARP10PARP11
SCHEMBL31079388 0.86 CDK9 (0.38) MAPK1GSK3BMAPKAPK2PARP10PARP11
SCHEMBL29964262 0.85 MAPK1 (0.45) MAPK1GSK3BGPR119ALOX5APFEN1
SCHEMBL29965015 0.84 CHEK2 (0.47) MAPK1GSK3BGPR119ALOX5APFEN1
SCHEMBL29964361 0.84 JAK2 (0.37) MAPK1GSK3BMAPKAPK2ROCK2PARP10

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 NR1H2 3573/4885ESR2 4500/4885MAPK1 141/4885

“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.