SCHEMBL29964417

SCHEMBL29964417

CN(C)Cc1cc(-c2cc(-c3cc(F)c4c(c3)CCNC4=O)c(N)nc2F)ccc1C1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.44
MAP4K1 Q92918 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAP4K3 Q8IVH8 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34
RPS6KA3 P51812 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HSP90B1 P14625 1/20 0.33
CD274 Q9NZQ7 1/20 0.32
RIPK3 Q9Y572 2/20 0.32
KLKB1 P03952 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
SCHEMBL31079366 0.91 MAPK1 (0.55) MAPK1MAP4K1CYP1A2CYP3A4CYP2D6
SCHEMBL27159860 0.88 MAPK1 (0.39) MAPK1MAP4K1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31079295 0.87 MAPK1 (0.45) MAPK1MAP4K1CYP1A2CYP3A4CYP2D6
SCHEMBL29965355 0.86 MAPK1 (0.36) MAPK1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29964684 0.86 MAPK1 (0.51) MAPK1MAP4K1
SCHEMBL29964214 0.85 MAPK1 (0.53) MAPK1MAP4K1CYP1A2CYP3A4CYP2D6
SCHEMBL31079242 0.83 MAPK1 (0.44) MAPK1RPS6KA3HSP90AA1HSP90AB1HSP90B1
SCHEMBL29964709 0.83 MAPK1 (0.42) MAPK1MAP4K1KCNH2CD274
SCHEMBL31079026 0.82 PDE3B (0.38) MAPK1CD274
SCHEMBL27159903 0.82 MAPK1 (0.38) MAPK1HSP90AA1HSP90AB1HSP90B1

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 45/4885CYP1A2 2749/4885

“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.