SCHEMBL29964707

SCHEMBL29964707

CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccc(Br)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.55
USP30 Q70CQ3 1/20 0.52
FPR2 P25090 4/20 0.50
GPR119 Q8TDV5 3/20 0.49
CHRNA7 P36544 1/20 0.49
FPR3 P25089 2/20 0.48
PDE4B Q07343 1/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
PIK3CD O00329 1/20 0.43

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
SCHEMBL29964863 1.00 CHEK2 (0.55) CHEK2USP30FPR2GPR119CHRNA7
SCHEMBL3344897 0.93 GPR119 (0.57) CHEK2USP30FPR2GPR119FPR3
SCHEMBL22953093 0.93 GPR119 (0.57) CHEK2USP30FPR2GPR119FPR3
SCHEMBL24467408 0.93 GPR119 (0.57) CHEK2USP30FPR2GPR119FPR3
SCHEMBL29981523 0.90 GPR119 (0.60) CHEK2USP30FPR2GPR119PDE4B
SCHEMBL23410116 0.90 GPR119 (0.60) CHEK2USP30FPR2GPR119PDE4B
SCHEMBL4358976 0.89 CHEK2 (0.59) CHEK2USP30GPR119PDE4BPRMT5
SCHEMBL19838590 0.88 CHEK2 (0.55) CHEK2USP30GPR119PDE4BPRMT5
SCHEMBL19838592 0.88 CHEK2 (0.55) CHEK2USP30GPR119PDE4BPRMT5
SCHEMBL3343250 0.87 USP30 (0.52) CHEK2USP30FPR2GPR119FPR3

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 162/4885USP30 3239/4885FPR2 4626/4885

“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.