SCHEMBL31079207

SCHEMBL31079207

Nc1nc(F)c(-c2ccc(N3CCN(CC4CC4)CC3)c(F)c2)cc1-c1cc(F)c2c(c1)CCNC2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CDC7 O00311 1/20 0.35
WDR5 P61964 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM1A O60341 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
NOTUM Q6P988 1/20 0.33
SYK P43405 1/20 0.32
PIM1 P11309 1/20 0.32
FLT3 P36888 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
RIPK3 Q9Y572 2/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
ALK Q9UM73 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL29964450 0.91 ADORA2A (0.41) ADORA2AADORA1CDC7MAPK1KDM1A
SCHEMBL31079288 0.86 MAPK1 (0.38) CDC7MAPK1KDM1AFLT3RIPK3
SCHEMBL31079206 0.85 PDE3B (0.43) WDR5PDE3BPDE3AMAPK1SYK
SCHEMBL31079327 0.85 CDC7 (0.34) CDC7PDE3BPDE3AMAPK1FFAR4
SCHEMBL31079322 0.83 DRD2 (0.37) ADORA2AADORA1MAPK1KDM1A
SCHEMBL31079127 0.82 MAPK1 (0.45) ADORA2AADORA1CDC7MAPK1
SCHEMBL27159950 0.80 ADORA2A (0.41) ADORA2AADORA1CDC7MAPK1RIPK3
SCHEMBL29964980 0.79 PARP10 (0.42) WDR5MAPK1KDM1A
SCHEMBL29964404 0.78 ADORA2A (0.40) ADORA2AADORA1MAPK1KDM1ARIPK3
SCHEMBL29965355 0.78 MAPK1 (0.36) PDE3BPDE3AMAPK1SYKMTOR

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 ADORA2A 3485/4885ADORA1 2525/4885CDC7 206/4885

“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.