SCHEMBL31079015

SCHEMBL31079015

Nc1nc(F)c(-c2ccc(N3CCOCC3)c(CN3CCCC3)c2)cc1-c1cc2c(cc1F)C(=O)NCC2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
ADORA2A P29274 4/20 0.34
ADORA1 P30542 4/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
LRRK2 Q5S007 3/20 0.32
PIK3CA P42336 2/20 0.32
PARP1 P09874 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
WDR5 P61964 1/20 0.32
MGLL Q99685 1/20 0.32
EED O75530 1/20 0.31
RBBP4 Q09028 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
AEBP2 Q6ZN18 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
SCHEMBL31078991 0.99 MAPK1 (0.35) MAPK1ADORA2AADORA1ALOX5APFEN1
SCHEMBL31079341 0.98 MAPK1 (0.36) MAPK1ADORA2AADORA1ALOX5APFEN1
SCHEMBL31079027 0.97 MAPK1 (0.37) MAPK1ADORA2AADORA1ALOX5APFEN1
SCHEMBL29964363 0.92 MAPK1 (0.44) MAPK1ADORA2AADORA1ALOX5APFEN1
SCHEMBL31079244 0.91 MAPK1 (0.44) MAPK1ADORA2AADORA1ALOX5APFEN1
SCHEMBL31079073 0.90 MAPK1 (0.36) MAPK1ADORA2AADORA1ALOX5APFEN1
SCHEMBL31079038 0.90 MAPK1 (0.44) MAPK1ADORA2AADORA1ALOX5APFEN1
SCHEMBL31079232 0.89 MAPK1 (0.34) MAPK1LRRK2PIK3CAPARP1PDE3B
SCHEMBL31079254 0.89 MAPK1 (0.36) MAPK1ALOX5APFEN1LRRK2PIK3CA
SCHEMBL31079328 0.88 MAPK1 (0.45) MAPK1ADORA2AADORA1ALOX5APFEN1

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 141/4885ADORA2A 3485/4885ADORA1 2525/4885

“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.