SCHEMBL29965237

SCHEMBL29965237

CC(C)N1CCOC(c2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
PARP10 Q53GL7 4/20 0.37
PARP11 Q9NR21 4/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
MAPKAPK2 P49137 6/20 0.36
MAPK9 P45984 1/20 0.35
GSK3B P49841 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
EED O75530 1/20 0.34
RBBP4 Q09028 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
AEBP2 Q6ZN18 1/20 0.34
PIK3CD O00329 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
SCHEMBL29964192 0.87 MAPK1 (0.44) MAPK1PARP10PARP11DRD3MAPKAPK2
SCHEMBL31079187 0.87 MAPK1 (0.44) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL29964659 0.86 MAPK1 (0.49) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL29964137 0.85 MAPK1 (0.45) MAPK1PARP10PARP11DRD3MAPKAPK2
SCHEMBL29965002 0.84 MAPK1 (0.43) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL29965544 0.82 MAPK1 (0.49) MAPK1PARP10PARP11
SCHEMBL29965132 0.81 MAPK1 (0.43) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL31079199 0.81 MAPK1 (0.46) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL29964280 0.81 MAPK1 (0.44) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL29964693 0.81 MAPK1 (0.44) MAPK1PARP10PARP11MAPKAPK2MAPK9

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.