SCHEMBL31079232

SCHEMBL31079232

COC1CN(Cc2cc(-c3cc(-c4cc5c(cc4F)C(=O)NCC5)c(N)nc3F)ccc2N2CCOCC2)C1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
MAPKAPK2 P49137 2/20 0.33
PDE3B Q13370 3/20 0.32
PDE3A Q14432 3/20 0.32
CD274 Q9NZQ7 1/20 0.31
SYK P43405 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
PARP3 Q9Y6F1 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL31079248 0.95 MAPK1 (0.35) MAPK1MAPKAPK2PDE3BPDE3ACD274
SCHEMBL31079247 0.95 MAPK1 (0.35) MAPK1MAPKAPK2PDE3BPDE3ACD274
SCHEMBL31078967 0.95 MAPK1 (0.35) MAPK1MAPKAPK2PDE3BPDE3ACD274
SCHEMBL31079073 0.94 MAPK1 (0.36) MAPK1MAPKAPK2PDE3BPDE3ACD274
SCHEMBL31079002 0.92 MAPK1 (0.42) MAPK1MAPKAPK2PIK3CAMTOR
SCHEMBL31079027 0.91 MAPK1 (0.37) MAPK1PDE3BPDE3APIK3CALRRK2
SCHEMBL29163370 0.90 MAPK1 (0.33) MAPK1MAPKAPK2PDE3BPDE3ASYK
SCHEMBL31079015 0.89 MAPK1 (0.36) MAPK1PDE3BPDE3APIK3CAMTOR
SCHEMBL31079341 0.89 MAPK1 (0.36) MAPK1PDE3BPDE3APIK3CAMTOR
SCHEMBL31078991 0.89 MAPK1 (0.35) MAPK1PDE3BPDE3APIK3CAMTOR

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 141/4885MAPKAPK2 79/4885PDE3B 2870/4885

“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.