SCHEMBL29964610

SCHEMBL29964610

COCCN1CCC(Oc2ccc(-c3cc(-c4cc5c(cc4F)C(=O)NCC5)c(N)nc3F)cc2C#N)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 15/20 0.37
IKBKE Q14164 3/20 0.37
GSK3B P49841 3/20 0.37
LYN P07948 1/20 0.35
GRK2 P25098 1/20 0.35
CLK1 P49759 1/20 0.35
GSK3A P49840 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK7 Q13164 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
KDM1A O60341 1/20 0.35
MAP3K12 Q12852 1/20 0.34

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
SCHEMBL29964560 0.92 MAPK1 (0.39) TBK1IKBKEKDM1AMAP3K12
SCHEMBL31079030 0.89 TBK1 (0.44) TBK1IKBKE
SCHEMBL29964639 0.87 TBK1 (0.36) TBK1KDM1A
SCHEMBL29964460 0.87 TBK1 (0.42) TBK1
SCHEMBL29963684 0.86 TBK1 (0.40) TBK1IKBKE
SCHEMBL29964716 0.85 MAPK1 (0.39) GSK3BLYNGRK2CLK1GSK3A
SCHEMBL29964120 0.84 DRD2 (0.38) GSK3BLYNGRK2CLK1GSK3A
SCHEMBL29964752 0.84 TBK1 (0.48) TBK1IKBKEKDM1A
SCHEMBL31078973 0.81 MAPK1 (0.37) MAP3K12
SCHEMBL29964608 0.81 FGFR1 (0.39) GSK3B

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 TBK1 1120/4885IKBKE 396/4885GSK3B 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.