SCHEMBL31079433

SCHEMBL31079433

C[C@@H]1CN(c2ccc(-c3cc(-c4cc5c(cc4F)C(=O)NCC5)c(N)nc3F)cc2CN(C)C)C[C@H](C)O1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MAPK1 P28482 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
MAPKAPK2 P49137 3/20 0.32
MAPK9 P45984 1/20 0.31
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
CD274 Q9NZQ7 1/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 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
SCHEMBL31079106 0.91 AKT1 (0.34) PDE3BPDE3AMAPK1MAPKAPK2
SCHEMBL31079254 0.88 MAPK1 (0.36) PDE3BPDE3AMAPK1ALOX5APFEN1
SCHEMBL29964555 0.88 CDK4 (0.37) MAPK1FEN1MAPKAPK2MAPK9CD274
SCHEMBL31079026 0.87 PDE3B (0.38) PDE3BPDE3AMAPK1ALOX5APFEN1
SCHEMBL31079113 0.86 MAPKAPK2 (0.35) MAPK1MAPKAPK2MAPK9GABRG2GABRB3
SCHEMBL31078997 0.86 MAPKAPK2 (0.33) MAPKAPK2MAPK9CD274
SCHEMBL29964744 0.86 MAPK1 (0.32) MAPK1ALOX5APFEN1MAPKAPK2CD274
SCHEMBL31079364 0.86 PIK3CD (0.33) ALOX5APFEN1MAPKAPK2CD274
SCHEMBL31079348 0.85 ALK (0.33) MAPK1MAPKAPK2
SCHEMBL31079041 0.85 ALK (0.34) MAPK1MAPKAPK2

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 PDE3B 2870/4885PDE3A 2532/4885MAPK1 141/4885

“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.