SCHEMBL29998193

SCHEMBL29998193

CC(C)(O)Cn1cc(I)c2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncnc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.34
▸ PDPK1 O15530 1/20 0.33
▸ DYRK3 O43781 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PHKG2 P15735 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ MARK3 P27448 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ CSNK1A1 P48729 1/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ IRAK1 P51617 1/20 0.32
▸ CSNK1G2 P78368 1/20 0.32
▸ MAP4K2 Q12851 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ CAMK2G Q13555 1/20 0.32
▸ CAMK2D Q13557 1/20 0.32

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
SCHEMBL27088011 0.95 RET (0.33) RETPDPK1DYRK3ROCK2PRKD3
SCHEMBL30813590 0.88 PDPK1 (0.32) PDPK1DYRK3ROCK2PRKD3MAP4K4
SCHEMBL30813359 0.85 FLT3 (0.36) PDPK1DYRK3ROCK2PRKD3MAP4K4
SCHEMBL30813659 0.85 PDPK1 (0.33) PDPK1DYRK3ROCK2PRKD3MAP4K4
SCHEMBL27218030 0.85 PDPK1 (0.33) PDPK1DYRK3ROCK2PRKD3MAP4K4
SCHEMBL27217811 0.83 — —
SCHEMBL30813722 0.83 PDPK1 (0.32) PDPK1DYRK3ROCK2PRKD3MAP4K4
SCHEMBL27217996 0.80 FLT3 (0.34) FLT3MKNK2
SCHEMBL29998475 0.80 USP30 (0.39) RETPDPK1
SCHEMBL27217958 0.79 VCP (0.31) VCP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317758-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-09-26 — — US disclosed
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
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 — — EP disclosed
WO-2022216680-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-13 — — 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 (2 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-20240317758-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 RET 2095/4885PDPK1 737/4885DYRK3 1578/4885
US-20240158394-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 RET 2117/4885PDPK1 730/4885DYRK3 1271/4885

“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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