SCHEMBL22864684

SCHEMBL22864684

COc1cc2c(cc1Nc1ncc(Cl)c(N3CCc4cc(C(F)F)ccc43)n1)CN(C)CC2

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.55
MAP4K1 Q92918 17/20 0.53
PTK2 Q05397 1/20 0.51

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
SCHEMBL29651299 1.00 ALK (0.55) ALKMAP4K1PTK2
SCHEMBL29651119 0.94 ALK (0.57) ALKMAP4K1PTK2
SCHEMBL22864728 0.94 ALK (0.57) ALKMAP4K1PTK2
SCHEMBL22864477 0.90 MAP4K1 (0.55) ALKMAP4K1PTK2
SCHEMBL29651271 0.90 MAP4K1 (0.55) ALKMAP4K1PTK2
SCHEMBL22864628 0.89 MAP4K1 (0.57) ALKMAP4K1PTK2
SCHEMBL29651332 0.89 MAP4K1 (0.57) ALKMAP4K1PTK2
SCHEMBL22864689 0.88 MAP4K1 (0.55) ALKMAP4K1PTK2
SCHEMBL22864471 0.87 MAP4K1 (0.62) ALKMAP4K1
SCHEMBL29651250 0.87 MAP4K1 (0.62) ALKMAP4K1

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-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2022-12-08 US disclosed
WO-2021000935-A1 HPK1 INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2021-01-07 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-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, SIK1, PGK1 ALK 4067/4885MAP4K1 63/4885PTK2 432/4885

“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.