SCHEMBL31079202

SCHEMBL31079202

CC(C)N1CCC(Oc2cc(F)c(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
HRH3 Q9Y5N1 8/20 0.37
CYP2D6 P10635 1/20 0.37
MAPKAPK2 P49137 5/20 0.37
MAPK9 P45984 1/20 0.36
PARP10 Q53GL7 3/20 0.36
PARP11 Q9NR21 3/20 0.36
GSK3B P49841 1/20 0.35
SYK P43405 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 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
SCHEMBL31079217 0.92 MAPK1 (0.41) MAPK1HRH3CYP2D6MAPKAPK2MAPK9
SCHEMBL31079223 0.91 MAPK1 (0.41) MAPK1HRH3CYP2D6MAPKAPK2MAPK9
SCHEMBL29964543 0.88 ALOX5AP (0.44) MAPK1MAPKAPK2MAPK9PARP10PARP11
SCHEMBL29964448 0.88 MAPKAPK2 (0.40) MAPK1HRH3CYP2D6MAPKAPK2MAPK9
SCHEMBL29964177 0.87 HRH3 (0.45) MAPK1HRH3CYP2D6MAPKAPK2MAPK9
SCHEMBL29964403 0.86 MAPK1 (0.40) MAPK1HRH3CYP2D6MAPKAPK2MAPK9
SCHEMBL31079235 0.86 HRH3 (0.43) MAPK1HRH3CYP2D6MAPKAPK2MAPK9
SCHEMBL31079229 0.86 MAPK1 (0.39) MAPK1HRH3CYP2D6MAPKAPK2MAPK9
SCHEMBL31079228 0.86 HRH3 (0.43) MAPK1HRH3CYP2D6MAPKAPK2MAPK9
SCHEMBL29964663 0.86 MAPK1 (0.41) MAPK1HRH3CYP2D6MAPKAPK2MAPK9

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 1 patent. 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

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 141/4885HRH3 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.