SCHEMBL29964137

SCHEMBL29964137

CC(C)N1CCCC(c2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
PARP1 P09874 3/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP10 Q53GL7 4/20 0.37
PARP11 Q9NR21 4/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
GSK3B P49841 2/20 0.36
MAPKAPK2 P49137 6/20 0.36
MAPK9 P45984 1/20 0.36
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34

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
SCHEMBL29964659 0.90 MAPK1 (0.49) MAPK1PARP1PARP10PARP11GSK3B
SCHEMBL29964197 0.88 MAPK1 (0.45) MAPK1PARP10PARP11DRD2DRD3
SCHEMBL31079291 0.87 MAPK1 (0.42) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29964066 0.87 MAPK1 (0.45) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29964642 0.85 MAPK1 (0.45) MAPK1PARP1PARP2PARP10PARP11
SCHEMBL31079344 0.85 MAPK1 (0.44) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29965237 0.85 MAPK1 (0.44) MAPK1PARP10PARP11DRD3GSK3B
SCHEMBL29964029 0.85 MAPK1 (0.50) MAPK1PARP1PARP2PARP10PARP11
SCHEMBL31079045 0.84 MAPK1 (0.42) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL31079201 0.84 MAPK1 (0.47) MAPK1PARP1PARP2PARP10PARP11

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 141/4885PARP1 2516/4885PARP2 3772/4885

“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.