SCHEMBL29964403

SCHEMBL29964403

CC(C)N1CCC(Oc2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)c3c2OCO3)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
MAPKAPK2 P49137 5/20 0.36
MAPK9 P45984 1/20 0.36
HRH3 Q9Y5N1 7/20 0.35
CYP2D6 P10635 1/20 0.35
PARP10 Q53GL7 4/20 0.34
PARP11 Q9NR21 4/20 0.34
GSK3B P49841 1/20 0.34
SYK P43405 1/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 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
SCHEMBL31079223 0.89 MAPK1 (0.41) MAPK1MAPKAPK2MAPK9HRH3CYP2D6
SCHEMBL31078998 0.89 MAPK1 (0.39) MAPK1MAPKAPK2MAPK9PARP10PARP11
SCHEMBL29964216 0.89 MAPK1 (0.43) MAPK1MAPKAPK2MAPK9PARP10PARP11
SCHEMBL31079217 0.88 MAPK1 (0.41) MAPK1MAPKAPK2MAPK9HRH3CYP2D6
SCHEMBL31079202 0.86 MAPK1 (0.40) MAPK1MAPKAPK2MAPK9HRH3CYP2D6
SCHEMBL29964448 0.86 MAPKAPK2 (0.40) MAPK1MAPKAPK2MAPK9HRH3CYP2D6
SCHEMBL29965510 0.86 GPR119 (0.38) MAPK1GSK3B
SCHEMBL31079229 0.85 MAPK1 (0.39) MAPK1MAPKAPK2MAPK9HRH3CYP2D6
SCHEMBL29964663 0.85 MAPK1 (0.41) MAPK1MAPKAPK2MAPK9HRH3CYP2D6
SCHEMBL29964177 0.84 HRH3 (0.45) MAPK1MAPKAPK2MAPK9HRH3CYP2D6

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 141/4885MAPKAPK2 79/4885MAPK9 178/4885

“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.