SCHEMBL29964688

SCHEMBL29964688

CC(=O)N1CCC(Oc2ccc(-c3cc(-c4cc5c(cc4F)C(=O)NCC5)c(N)nc3F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.42
IKBKB O14920 3/20 0.39
CHUK O15111 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CYP11B2 P19099 3/20 0.38
MAPKAPK2 P49137 1/20 0.37
NAMPT P43490 1/20 0.37
PIK3CD O00329 3/20 0.36
MLNR O43193 1/20 0.36
CYP3A4 P08684 1/20 0.36
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 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
SCHEMBL29964469 0.92 PRKAB2 (0.39) CHEK2MAPKAPK2PIK3CDPARP1PARP2
SCHEMBL29964484 0.90 CHEK2 (0.44) CHEK2IKBKBCHUKCYP4F2CYP4A11
SCHEMBL29964866 0.90 CHEK2 (0.46) CHEK2
SCHEMBL29964781 0.89 NAMPT (0.40) CHEK2MAPKAPK2NAMPTPIK3CDMLNR
SCHEMBL29964460 0.87 TBK1 (0.42)
SCHEMBL29964819 0.87 IKBKB (0.36) CHEK2IKBKBCHUKCYP11B2PARP1
SCHEMBL29965086 0.87 PRKCZ (0.41) CHEK2IKBKBCHUKMAPKAPK2PARP1
SCHEMBL29963719 0.86 HRH3 (0.44) MAPKAPK2NAMPTPARP1PARP2
SCHEMBL29964815 0.85 HRH3 (0.38) MAPKAPK2
SCHEMBL29964861 0.84 MAPKAPK2 (0.37) MAPKAPK2PARP1

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 162/4885IKBKB 655/4885CHUK 165/4885

“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.