SCHEMBL29964377

SCHEMBL29964377

COc1cc(-c2cc(-c3ccc4c(c3)CCNC4=O)c(N)nc2F)ccc1OC1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
MAPKAPK2 P49137 5/20 0.41
RET P07949 1/20 0.40
KIF5B P33176 1/20 0.40
KDR P35968 1/20 0.40
ETV6 P41212 1/20 0.40
CCDC6 Q16204 1/20 0.40
PIK3CA P42336 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PARP10 Q53GL7 3/20 0.39
PARP11 Q9NR21 3/20 0.39
PDE4B Q07343 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MAPK9 P45984 1/20 0.37
GSK3B P49841 1/20 0.36
GRM5 P41594 1/20 0.36
SYK P43405 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
SCHEMBL29964382 0.90 ALOX5AP (0.45) MAPK1MAPKAPK2ALOX5APFEN1PARP10
SCHEMBL29964448 0.89 MAPKAPK2 (0.40) MAPK1MAPKAPK2PARP10PARP11PDE4B
SCHEMBL29964697 0.89 MAPK1 (0.45) MAPK1MAPKAPK2ALOX5APFEN1PARP10
SCHEMBL29964631 0.88 MAPK1 (0.44) MAPK1MAPKAPK2ALOX5APFEN1PARP10
SCHEMBL29964617 0.88 MAPKAPK2 (0.40) MAPK1MAPKAPK2PIK3CAPARP10PARP11
SCHEMBL29964330 0.87 CTSS (0.43) MAPK1MAPKAPK2ALOX5APFEN1PARP10
SCHEMBL31079134 0.87 MAPK1 (0.45) MAPK1ALOX5APFEN1PARP10PARP11
SCHEMBL29964735 0.87 MAPK1 (0.41) MAPK1MAPKAPK2ALOX5APFEN1PARP10
SCHEMBL29964340 0.87 MAPK1 (0.48) MAPK1MAPKAPK2ALOX5APFEN1PARP10
SCHEMBL29964543 0.85 ALOX5AP (0.44) MAPK1MAPKAPK2ALOX5APFEN1PARP10

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 79/4885RET 889/4885

“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.