SCHEMBL29964464

SCHEMBL29964464

CC1(C)OB(c2ccc3c(c2)CCCNC3=O)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 9/20 0.44
PARP10 Q53GL7 9/20 0.44
GSK3B P49841 1/20 0.38
GRM5 P41594 5/20 0.36
CDC7 O00311 1/20 0.36
BACE1 P56817 1/20 0.36
PARP1 P09874 2/20 0.36
PDPK1 O15530 1/20 0.36
LPL P06858 1/20 0.35
LIPG Q9Y5X9 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
SCHEMBL12077902 1.00 PARP11 (0.44) PARP11PARP10GSK3BGRM5CDC7
SCHEMBL30720809 0.92 PARP10 (0.54) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL1636716 0.92 PARP10 (0.54) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL12078239 0.84 PARP10 (0.38) PARP11PARP10GRM5BACE1PARP1
SCHEMBL274197 0.83 ROCK1 (0.43) GSK3BGRM5LPLLIPG
SCHEMBL2052209 0.81 PARP10 (0.54) PARP11PARP10BACE1PARP1PDPK1
SCHEMBL29676875 0.81 PARP10 (0.54) PARP11PARP10BACE1PARP1PDPK1
SCHEMBL21382549 0.81 KDM4E (0.43) LPLLIPG
SCHEMBL29984001 0.81 MAOB (0.47) GRM5LPLLIPG
SCHEMBL27080470 0.81 MAOB (0.47) GRM5LPLLIPG

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 PARP11 1176/4885PARP10 2072/4885GSK3B 1000/4885

“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.