SCHEMBL29964709

SCHEMBL29964709

CN(C)Cc1cc(-c2cc(-c3cc4c(cc3F)C(=O)NCC4)c(N)nc2F)ccc1C1CCOC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.42
MAP4K1 Q92918 2/20 0.33
CD274 Q9NZQ7 1/20 0.32
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
MTOR P42345 1/20 0.31
CTSD P07339 4/20 0.31
BACE1 P56817 4/20 0.31
GSK3B P49841 1/20 0.31
KCNH2 Q12809 1/20 0.31
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
MAPKAPK2 P49137 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
SCHEMBL31079295 0.95 MAPK1 (0.45) MAPK1MAP4K1CD274PARP10PARP11
SCHEMBL29964684 0.92 MAPK1 (0.51) MAPK1MAP4K1PARP10PARP11GSK3B
SCHEMBL29964534 0.90 MAPK1 (0.44) MAPK1MAP4K1CD274PARP10PARP11
SCHEMBL31079366 0.87 MAPK1 (0.55) MAPK1MAP4K1PARP10PARP11GSK3B
SCHEMBL29964381 0.87 MAPK1 (0.40) MAPK1CD274GSK3BKCNH2GABRG2
SCHEMBL31079113 0.86 MAPKAPK2 (0.35) MAPK1CD274PARP10PARP11GABRG2
SCHEMBL31079277 0.86 MAPK1 (0.41) MAPK1CD274MTORKCNH2GABRG2
SCHEMBL31079204 0.85 MAPK1 (0.41) MAPK1CD274GSK3BKCNH2GABRG2
SCHEMBL27159885 0.84 MAPK1 (0.42) MAPK1MAP4K1PARP10PARP11KCNH2
SCHEMBL31079254 0.83 MAPK1 (0.36) MAPK1CD274MTORGABRG2GABRB3

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 2 patents. 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
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO 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 141/4885MAP4K1 45/4885CD274 4091/4885

“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.