SCHEMBL31079301

SCHEMBL31079301

COCCN(C)Cc1cc(-c2cc(-c3cc4c(cc3F)C(=O)NCC4)c(N)nc2F)ccc1N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.37
MAPK1 P28482 2/20 0.33
MAPKAPK2 P49137 2/20 0.33
PIK3CA P42336 7/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
PARP3 Q9Y6F1 1/20 0.30
GABRG2 P18507 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
SCHEMBL31078992 0.92 MAPK1 (0.41) MTORMAPK1MAPKAPK2PIK3CARAF1
SCHEMBL31079254 0.91 MAPK1 (0.36) MTORMAPK1MAPKAPK2PIK3CACD274
SCHEMBL31310881 0.90 MTOR (0.37) MTORMAPK1MAPKAPK2PIK3CAMEN1
SCHEMBL31079165 0.89 MTOR (0.32) MTORPIK3CARAF1BRAF
SCHEMBL31079277 0.88 MAPK1 (0.41) MTORMAPK1MAPKAPK2CD274GABRG2
SCHEMBL31079027 0.85 MAPK1 (0.37) MAPK1PIK3CAPDE3BPDE3A
SCHEMBL31079159 0.85 LMNA (0.35) MAPK1MEN1ALDH1A1KMT2APDE3B
SCHEMBL31310890 0.84 MTOR (0.38) MTORMAPK1MAPKAPK2PIK3CAMEN1
SCHEMBL31079341 0.84 MAPK1 (0.36) MTORMAPK1PIK3CAPDE3BPDE3A
SCHEMBL31079015 0.84 MAPK1 (0.36) MTORMAPK1PIK3CAPDE3BPDE3A

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 MTOR 642/4885MAPK1 141/4885MAPKAPK2 79/4885

“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.