SCHEMBL29964663

SCHEMBL29964663

CC(C)N1CCC(Oc2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)cc2C#N)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
KDM1A O60341 1/20 0.39
TBK1 Q9UHD2 12/20 0.37
HRH3 Q9Y5N1 3/20 0.36
CYP2D6 P10635 1/20 0.36
MAPKAPK2 P49137 2/20 0.36
SGK1 O00141 1/20 0.36
MAPK9 P45984 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
SCHEMBL29964639 0.92 TBK1 (0.36) KDM1ATBK1HRH3CYP2D6SGK1
SCHEMBL31079217 0.91 MAPK1 (0.41) MAPK1HRH3CYP2D6MAPKAPK2MAPK9
SCHEMBL29964448 0.89 MAPKAPK2 (0.40) MAPK1HRH3CYP2D6MAPKAPK2MAPK9
SCHEMBL31079223 0.89 MAPK1 (0.41) MAPK1HRH3CYP2D6MAPKAPK2MAPK9
SCHEMBL29964212 0.89 TBK1 (0.43) MAPK1KDM1ATBK1
SCHEMBL31079134 0.88 MAPK1 (0.45) MAPK1TBK1
SCHEMBL31079229 0.88 MAPK1 (0.39) MAPK1HRH3CYP2D6MAPKAPK2MAPK9
SCHEMBL29964177 0.87 HRH3 (0.45) MAPK1HRH3CYP2D6MAPKAPK2MAPK9
SCHEMBL29964560 0.87 MAPK1 (0.39) MAPK1KDM1ATBK1MAPKAPK2MAPK9
SCHEMBL29965165 0.87 TBK1 (0.45) MAPK1KDM1ATBK1SGK1

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 141/4885KDM1A 1020/4885TBK1 1120/4885

“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.