SCHEMBL29964480

SCHEMBL29964480

CC(C)(C)OC(=O)N1CCc2cc(-c3cc(-c4cc5c(cc4F)C(=O)NCC5)c(N)nc3F)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.44
NR1H2 P55055 1/20 0.43
MAPKAPK2 P49137 3/20 0.37
MAP3K5 Q99683 1/20 0.37
ROCK2 O75116 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
MAPK1 P28482 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
JAK2 O60674 2/20 0.34
JAK3 P52333 2/20 0.34
PTK2 Q05397 2/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
ESR1 P03372 1/20 0.34
ABHD6 Q9BV23 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 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
SCHEMBL29965070 0.92 ESR2 (0.46) ESR2NR1H2MAPKAPK2MAP3K5ROCK2
SCHEMBL29964258 0.89 NR1H2 (0.50) ESR2NR1H2MAPKAPK2MAP3K5ROCK2
SCHEMBL29964221 0.86 GRM1 (0.41)
SCHEMBL29964443 0.85 RET (0.39) MAPKAPK2GPR119DDB1CRBNMAPT
SCHEMBL29964643 0.84 P2RY14 (0.42) GPR119JAK2JAK3PTK2DDB1
SCHEMBL29963694 0.84 SMARCA2 (0.38) ALOX5APFEN1GPR119
SCHEMBL29964866 0.84 CHEK2 (0.46) ALOX5APFEN1GPR119
SCHEMBL29965022 0.83 CHEK2 (0.39) MAPKAPK2ALOX5APFEN1GPR119ESR1
SCHEMBL29964810 0.82 SMARCA2 (0.37) ALOX5APFEN1GPR119PARP1
SCHEMBL31079336 0.82 MAPKAPK2 (0.37) MAPKAPK2MAPK1CD274PARP1

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 ESR2 4500/4885NR1H2 3573/4885MAPKAPK2 79/4885

“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.