SCHEMBL29964129

SCHEMBL29964129

CC(=O)N1CCC(Oc2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)cc2CN(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
IKBKB O14920 3/20 0.37
GSK3B P49841 1/20 0.37
CHUK O15111 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
PARP10 Q53GL7 2/20 0.36
PARP11 Q9NR21 2/20 0.36
MAPKAPK2 P49137 4/20 0.35
MAP4K4 O95819 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
MAPK9 P45984 1/20 0.35
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34
CHEK2 O96017 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
UGCG Q16739 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
SCHEMBL29964819 0.92 IKBKB (0.36) IKBKBCHUKCDK4CCND1CCND3
SCHEMBL29964410 0.91 KDM1A (0.40) MAPK1GSK3BPARP1CHEK2TBK1
SCHEMBL31079321 0.90 MAPK1 (0.41) MAPK1IKBKBGSK3BCHUKCDK4
SCHEMBL29964735 0.89 MAPK1 (0.41) MAPK1IKBKBGSK3BCHUKCDK4
SCHEMBL29964617 0.89 MAPKAPK2 (0.40) MAPK1IKBKBGSK3BCHUKPARP10
SCHEMBL29963798 0.88 MAPK1 (0.49) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL31079210 0.87 MAPK1 (0.39) MAPK1IKBKBGSK3BCHUKPARP10
SCHEMBL29964212 0.87 TBK1 (0.43) MAPK1TBK1
SCHEMBL29964484 0.87 CHEK2 (0.44) MAPK1IKBKBGSK3BCHUKPARP10
SCHEMBL31078998 0.86 MAPK1 (0.39) MAPK1IKBKBGSK3BCHUKCDK4

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 141/4885IKBKB 655/4885GSK3B 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.