SCHEMBL31079210

SCHEMBL31079210

CC(=O)N1CCC(Oc2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)cc2C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
IKBKB O14920 3/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
GSK3B P49841 1/20 0.38
F10 P00742 2/20 0.37
F2 P00734 1/20 0.37
CHUK O15111 1/20 0.37
PARP10 Q53GL7 3/20 0.37
PARP11 Q9NR21 3/20 0.37
TIPARP Q7Z3E1 1/20 0.36
FEN1 P39748 1/20 0.36
MAPKAPK2 P49137 3/20 0.36
WDR5 P61964 1/20 0.35
MAPK9 P45984 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
CHEK2 O96017 1/20 0.34

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
SCHEMBL31079424 0.91 GPR119 (0.39) MAPK1GSK3BFEN1CHEK2
SCHEMBL31079321 0.91 MAPK1 (0.41) MAPK1IKBKBGSK3BCHUKPARP10
SCHEMBL29964617 0.89 MAPKAPK2 (0.40) MAPK1IKBKBGSK3BCHUKPARP10
SCHEMBL31079229 0.89 MAPK1 (0.39) MAPK1CTSSCTSKGSK3BPARP10
SCHEMBL29964212 0.88 TBK1 (0.43) MAPK1
SCHEMBL29964484 0.88 CHEK2 (0.44) MAPK1IKBKBGSK3BCHUKPARP10
SCHEMBL29964330 0.88 CTSS (0.43) MAPK1IKBKBCTSSCTSKGSK3B
SCHEMBL29964129 0.87 MAPK1 (0.38) MAPK1IKBKBCTSKGSK3BCHUK
SCHEMBL31079270 0.87 MAPK1 (0.39) MAPK1CTSSCTSKGSK3BPARP10
SCHEMBL31078973 0.86 MAPK1 (0.37) MAPK1CTSSCTSKPARP10PARP11

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 141/4885IKBKB 655/4885CTSS 3361/4885

“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.