SCHEMBL31079247

SCHEMBL31079247

CO[C@H]1CCN(Cc2cc(-c3cc(-c4cc5c(cc4F)C(=O)NCC5)c(N)nc3F)ccc2N2CCOCC2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
GRM2 Q14416 1/20 0.33
BACE1 P56817 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
TBK1 Q9UHD2 2/20 0.32
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
SYK P43405 1/20 0.31
PDE3B Q13370 3/20 0.30
PDE3A Q14432 3/20 0.30
WDR5 P61964 2/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
TNF P01375 1/20 0.30
CDC7 O00311 1/20 0.30
PIM1 P11309 1/20 0.30
CSNK2B P67870 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
SCHEMBL31079248 1.00 MAPK1 (0.35) MAPK1GRM2BACE1MAPKAPK2TBK1
SCHEMBL31078967 1.00 MAPK1 (0.35) MAPK1GRM2BACE1MAPKAPK2TBK1
SCHEMBL31079073 0.96 MAPK1 (0.36) MAPK1MAPKAPK2TBK1KDM4EKMT2A
SCHEMBL31079232 0.95 MAPK1 (0.34) MAPK1MAPKAPK2TBK1PARP1PARP2
SCHEMBL31079379 0.93 MAPK1 (0.42) MAPK1GRM2BACE1MAPKAPK2TBK1
SCHEMBL31079090 0.93 MAPK1 (0.42) MAPK1GRM2BACE1MAPKAPK2TBK1
SCHEMBL31079085 0.93 MAPK1 (0.42) MAPK1GRM2BACE1MAPKAPK2TBK1
SCHEMBL29163464 0.90 MAPK1 (0.33) MAPK1GRM2BACE1MAPKAPK2KDM4E
SCHEMBL29163280 0.90 MAPK1 (0.33) MAPK1GRM2BACE1MAPKAPK2KDM4E
SCHEMBL29163285 0.90 MAPK1 (0.33) MAPK1GRM2BACE1MAPKAPK2KDM4E

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 141/4885GRM2 4347/4885BACE1 4686/4885

“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.