SCHEMBL29964640

SCHEMBL29964640

C[C@H]1CC(Oc2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)cc2)C[C@H](C)N1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
MAPKAPK2 P49137 7/20 0.37
GSK3B P49841 1/20 0.36
MAPK9 P45984 1/20 0.35
PARP10 Q53GL7 5/20 0.35
PARP11 Q9NR21 5/20 0.35
CHEK2 O96017 1/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
SYK P43405 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
SCHEMBL29964978 1.00 MAPK1 (0.39) MAPK1MAPKAPK2GSK3BMAPK9PARP10
SCHEMBL29965247 0.89 MAPK1 (0.40) MAPK1MAPKAPK2GSK3BMAPK9PARP10
SCHEMBL29965015 0.87 CHEK2 (0.47) MAPK1GSK3BCHEK2
SCHEMBL29964277 0.87 MAPK1 (0.39) MAPK1MAPKAPK2GSK3BMAPK9PARP10
SCHEMBL29964420 0.85 CHEK2 (0.49) MAPK1GSK3BCHEK2
SCHEMBL29964324 0.83 MAPK1 (0.38) MAPK1MAPKAPK2GSK3BMAPK9PARP10
SCHEMBL29964655 0.83 MAPK1 (0.44) MAPK1MAPKAPK2GSK3BMAPK9PARP10
SCHEMBL29963942 0.83 MAPK1 (0.44) MAPK1MAPKAPK2GSK3BMAPK9PARP10
SCHEMBL31079304 0.83 MAPK1 (0.44) MAPK1MAPKAPK2GSK3BMAPK9PARP10
SCHEMBL29963910 0.81 MAPK1 (0.47) MAPK1MAPKAPK2GSK3BMAPK9PARP10

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 MAPK1 141/4885MAPKAPK2 79/4885GSK3B 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.