SCHEMBL31079141

SCHEMBL31079141

COCCN1CCN(c2ccc(-c3cc(-c4cc5c(cc4F)C(=O)NCC5)c(N)nc3F)cc2C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.37
TLR7 Q9NYK1 3/20 0.36
WDR5 P61964 4/20 0.35
DRD2 P14416 5/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ADORA2A P29274 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 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
SCHEMBL31079167 0.90 ASIC3 (0.45) ASIC3WDR5PDE3BPDE3A
SCHEMBL29964608 0.87 FGFR1 (0.39) TLR7DRD2MAPKAPK2
SCHEMBL29964191 0.86 CCNT1 (0.38) ASIC3PDE3BPDE3A
SCHEMBL31079384 0.86 ASIC3 (0.37) ASIC3WDR5PDE3BPDE3AMAPKAPK2
SCHEMBL29963694 0.84 SMARCA2 (0.38) ASIC3WDR5
SCHEMBL31079233 0.82 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL31079368 0.82 ASIC3 (0.49) ASIC3WDR5PDE3BPDE3AMAPKAPK2
SCHEMBL29964120 0.81 DRD2 (0.38) TLR7DRD2MAPKAPK2
SCHEMBL29964885 0.81 MAPKAPK2 (0.36) WDR5MAPKAPK2
SCHEMBL31079214 0.81 ASIC3 (0.41) ASIC3WDR5PDE3BPDE3AMAPKAPK2

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 ASIC3 3017/4885TLR7 3919/4885WDR5 1158/4885

“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.