SCHEMBL29964469

SCHEMBL29964469

CC(=O)N1CC(Oc2ccc(-c3cc(-c4cc5c(cc4F)C(=O)NCC5)c(N)nc3F)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
MAPKAPK2 P49137 3/20 0.38
CHEK2 O96017 2/20 0.35
PIK3CD O00329 3/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CB P42338 3/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
PARP10 Q53GL7 2/20 0.34
PARP11 Q9NR21 2/20 0.34
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PIK3CG P48736 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
SCHEMBL29964688 0.92 CHEK2 (0.42) MAPKAPK2CHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL29964396 0.90 MAPK1 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29965022 0.90 CHEK2 (0.39) MAPKAPK2CHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL29964861 0.85 MAPKAPK2 (0.37) MAPKAPK2GABRG2GABRB3GABRA5PARP10
SCHEMBL29965086 0.85 PRKCZ (0.41) MAPKAPK2CHEK2GABRG2GABRB3GABRA5
SCHEMBL29964644 0.84 CHEK2 (0.48) CHEK2PRMT5
SCHEMBL29964866 0.84 CHEK2 (0.46) CHEK2
Trifluoroacetic Acid SCHEMBL29964703 0.83 MAPKAPK2 (0.34) MAPKAPK2GABRG2GABRB3GABRA5PARP10
SCHEMBL29964781 0.83 NAMPT (0.40) MAPKAPK2CHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL29964484 0.82 CHEK2 (0.44) MAPKAPK2CHEK2PIK3CDPARP10PARP11

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 PRKAB2 579/4885PRKAG1 307/4885PRKAA2 390/4885

“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.