SCHEMBL29964639

SCHEMBL29964639

CC(C)N1CCC(Oc2ccc(-c3cc(-c4cc5c(cc4F)C(=O)NCC5)c(N)nc3F)cc2C#N)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 15/20 0.36
HRH3 Q9Y5N1 3/20 0.35
CYP2D6 P10635 1/20 0.35
KDM1A O60341 1/20 0.35
SGK1 O00141 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
SCHEMBL29964663 0.92 MAPK1 (0.41) TBK1HRH3CYP2D6KDM1ASGK1
SCHEMBL29964460 0.89 TBK1 (0.42) TBK1
SCHEMBL29963684 0.89 TBK1 (0.40) TBK1
SCHEMBL29964610 0.87 TBK1 (0.37) TBK1KDM1A
SCHEMBL31079030 0.87 TBK1 (0.44) TBK1SGK1
SCHEMBL29964752 0.86 TBK1 (0.48) TBK1KDM1A
SCHEMBL31079202 0.84 MAPK1 (0.40) HRH3CYP2D6
SCHEMBL31079217 0.84 MAPK1 (0.41) HRH3CYP2D6
SCHEMBL31079182 0.82 MAPK1 (0.39) HRH3CYP2D6
SCHEMBL29964448 0.81 MAPKAPK2 (0.40) HRH3CYP2D6

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 1120/4885HRH3 492/4885CYP2D6 2073/4885

“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.