SCHEMBL31079090

SCHEMBL31079090

CO[C@H]1CCN(Cc2cc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)ccc2N2CCOCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
MAPKAPK2 P49137 6/20 0.35
GRM2 Q14416 1/20 0.34
WDR5 P61964 2/20 0.33
MAPK9 P45984 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
GSK3B P49841 1/20 0.32
OGA O60502 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
BACE1 P56817 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
ESR1 P03372 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL31079085 1.00 MAPK1 (0.42) MAPK1MAPKAPK2GRM2WDR5MAPK9
SCHEMBL31079379 1.00 MAPK1 (0.42) MAPK1MAPKAPK2GRM2WDR5MAPK9
SCHEMBL31079088 0.96 MAPK1 (0.43) MAPK1MAPKAPK2WDR5MAPK9PARP1
SCHEMBL31079002 0.95 MAPK1 (0.42) MAPK1MAPKAPK2WDR5MAPK9PARP10
SCHEMBL31079248 0.93 MAPK1 (0.35) MAPK1MAPKAPK2GRM2WDR5TBK1
SCHEMBL31078967 0.93 MAPK1 (0.35) MAPK1MAPKAPK2GRM2WDR5TBK1
SCHEMBL31079247 0.93 MAPK1 (0.35) MAPK1MAPKAPK2GRM2WDR5TBK1
SCHEMBL29163324 0.91 MAPK1 (0.39) MAPK1MAPKAPK2GRM2MAPK9TBK1
SCHEMBL29163323 0.91 MAPK1 (0.39) MAPK1MAPKAPK2GRM2MAPK9TBK1
SCHEMBL29163369 0.91 MAPK1 (0.39) MAPK1MAPKAPK2GRM2MAPK9TBK1

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 141/4885MAPKAPK2 79/4885GRM2 4347/4885

“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.