SCHEMBL30813639

SCHEMBL30813639

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2c1c(I)cn2-c1ccncc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.32
▸ VCP P55072 2/20 0.31
▸ GRM1 Q13255 1/20 0.30
▸ KDM4D Q6B0I6 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
SCHEMBL27217770 0.95 VCP (0.32) KDM4EALDH1A1LMNAHTTNPSR1
SCHEMBL30813412 0.89 GPR119 (0.37) PDPK1KDM4EALDH1A1LMNAHTT
SCHEMBL27217939 0.84 GPR119 (0.36) PDPK1HTTCPB2VCPGRM1
SCHEMBL30813573 0.81 USP30 (0.38) CPB2
SCHEMBL30813416 0.78 SRC (0.32) —
SCHEMBL27217825 0.77 USP30 (0.36) —
SCHEMBL29998193 0.76 RET (0.34) PDPK1KDM4EALDH1A1LMNAHTT
SCHEMBL30813452 0.76 SRC (0.39) PDPK1
SCHEMBL30813659 0.74 PDPK1 (0.33) PDPK1KDM4EALDH1A1LMNAHTT
SCHEMBL30813365 0.74 SRC (0.38) —

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 PDPK1 730/4885KDM4E 3421/4885ALDH1A1 4648/4885

“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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