SCHEMBL31079321

SCHEMBL31079321

CC(=O)N1CCC(Oc2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
GSK3B P49841 1/20 0.40
IKBKB O14920 3/20 0.39
CHUK O15111 1/20 0.39
PARP10 Q53GL7 2/20 0.38
PARP11 Q9NR21 2/20 0.38
GPR6 P46095 5/20 0.38
MAPKAPK2 P49137 3/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
MAPK9 P45984 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND3 P30281 1/20 0.36
CDK6 Q00534 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL29964617 0.92 MAPKAPK2 (0.40) MAPK1GSK3BIKBKBCHUKPARP10
SCHEMBL29964212 0.91 TBK1 (0.43) MAPK1
SCHEMBL31079210 0.91 MAPK1 (0.39) MAPK1GSK3BIKBKBCHUKPARP10
SCHEMBL29964484 0.90 CHEK2 (0.44) MAPK1GSK3BIKBKBCHUKPARP10
SCHEMBL31079292 0.90 GPR119 (0.46) MAPK1GSK3BALOX5APFEN1
SCHEMBL29964129 0.90 MAPK1 (0.38) MAPK1GSK3BIKBKBCHUKPARP10
SCHEMBL31079217 0.88 MAPK1 (0.41) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL31078998 0.88 MAPK1 (0.39) MAPK1GSK3BIKBKBCHUKPARP10
SCHEMBL29964382 0.87 ALOX5AP (0.45) MAPK1GSK3BIKBKBCHUKPARP10
SCHEMBL31079274 0.86 MAPKAPK2 (0.40) MAPK1GSK3BIKBKBCHUKPARP10

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 1 patent. 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

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 141/4885GSK3B 1000/4885IKBKB 655/4885

“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.