SCHEMBL29964302

SCHEMBL29964302

Nc1nc(Cl)c(-c2ccc(C3CCNCC3)cc2)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
PARP10 Q53GL7 8/20 0.44
PARP11 Q9NR21 8/20 0.44
GSK3B P49841 2/20 0.42
MAPKAPK2 P49137 7/20 0.39
MAPK9 P45984 1/20 0.39
GRM5 P41594 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
SCHEMBL29965067 0.90 MAPK1 (0.52) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29964049 0.88 MAPK1 (0.55) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29964059 0.83 MAPK1 (0.46) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29964160 0.83 MAPK1 (0.51) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29964636 0.82 TGFBR1 (0.52) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29914491 0.82 MAPK1 (0.67) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29964604 0.82 MAPK1 (0.45) MAPK1GSK3B
SCHEMBL29964029 0.78 MAPK1 (0.50) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29964561 0.78 PARP10 (0.52) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29965541 0.78 MAPK1 (0.45) MAPK1PARP10PARP11GSK3BMAPKAPK2

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 141/4885PARP10 2072/4885PARP11 1176/4885

“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.