SCHEMBL30813359

SCHEMBL30813359

COCCn1cc(I)c2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.36
▸ PDPK1 O15530 1/20 0.33
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ MKNK2 Q9HBH9 4/20 0.31
▸ DYRK3 O43781 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ PHKG2 P15735 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ MARK3 P27448 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ IRAK1 P51617 1/20 0.31
▸ CSNK1G2 P78368 1/20 0.31
▸ MAP4K2 Q12851 1/20 0.31
▸ ROCK1 Q13464 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
SCHEMBL27217996 0.95 FLT3 (0.34) FLT3CNR1CNR2MKNK2MKNK1
SCHEMBL30813722 0.90 PDPK1 (0.32) FLT3PDPK1MKNK2DYRK3ROCK2
SCHEMBL27218030 0.87 PDPK1 (0.33) FLT3PDPK1MKNK2DYRK3ROCK2
SCHEMBL30813659 0.87 PDPK1 (0.33) FLT3PDPK1MKNK2DYRK3ROCK2
SCHEMBL27217958 0.85 VCP (0.31) —
SCHEMBL29998193 0.85 RET (0.34) FLT3PDPK1MKNK2DYRK3ROCK2
SCHEMBL30813590 0.82 PDPK1 (0.32) FLT3PDPK1MKNK2DYRK3ROCK2
SCHEMBL27088011 0.80 RET (0.33) FLT3PDPK1MKNK2DYRK3ROCK2
SCHEMBL27217811 0.78 — —
SCHEMBL30813452 0.76 SRC (0.39) PDPK1

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-20240158394-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-05-16 — — US disclosed
WO-2024059200-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-03-21 — — 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-20240158394-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 FLT3 3178/4885PDPK1 730/4885CNR1 3522/4885

“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.

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