SCHEMBL31079189

SCHEMBL31079189

Nc1nc(F)c(-c2ccc(C3CCOCC3)c(CN3CCCC3)c2)cc1-c1cc2c(cc1F)C(=O)NCC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.43
GSK3B P49841 1/20 0.34
KCNH2 Q12809 1/20 0.34
ADORA2A P29274 4/20 0.33
ADORA1 P30542 4/20 0.33
PARP1 P09874 4/20 0.33
PARP2 Q9UGN5 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
RIPK3 Q9Y572 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 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

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
SCHEMBL31079312 0.92 MAPK1 (0.53) MAPK1GSK3BADORA2AADORA1PARP1
SCHEMBL31079180 0.92 MAPK1 (0.40) MAPK1KCNH2ADORA2AADORA1PARP1
SCHEMBL27159777 0.89 MAPK1 (0.41) MAPK1GSK3BKCNH2ADORA2AADORA1
SCHEMBL27159937 0.88 MAPK1 (0.41) MAPK1GSK3BKCNH2ADORA2AADORA1
SCHEMBL31079295 0.87 MAPK1 (0.45) MAPK1GSK3BKCNH2RIPK3
SCHEMBL31079015 0.87 MAPK1 (0.36) MAPK1ADORA2AADORA1PARP1HRH3
SCHEMBL29964522 0.86 MAPK1 (0.39) MAPK1KCNH2PARP1PARP2RIPK3
SCHEMBL29964534 0.86 MAPK1 (0.44) MAPK1KCNH2RIPK3
SCHEMBL31078991 0.86 MAPK1 (0.35) MAPK1ADORA2AADORA1PARP1HRH3
SCHEMBL31079341 0.85 MAPK1 (0.36) MAPK1ADORA2AADORA1HRH3ALOX5AP

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 141/4885GSK3B 1000/4885KCNH2 2927/4885

“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.