SCHEMBL30633355

SCHEMBL30633355

CC(C)(C)OC(=O)Nc1cc(I)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.46
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
IGF1R P08069 1/20 0.40
CYP17A1 P05093 2/20 0.40
TGFBR1 P36897 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
NAMPT P43490 1/20 0.39
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
METAP1 P53582 1/20 0.38
MAP4K4 O95819 1/20 0.38
CCR2 P41597 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL3323673 1.00 ATR (0.46) ATRGSK3BDYRK1AIRAK4JAK2
SCHEMBL16705406 0.84 JAK2 (0.55) JAK2JAK1TYK2AAK1PIK3C3
SCHEMBL1192656 0.83 ATR (0.50) ATRGSK3BDYRK1AIRAK4JAK2
SCHEMBL30953487 0.83 ATR (0.50) ATRGSK3BDYRK1AIRAK4JAK2
SCHEMBL828560 0.83 TP53 (0.51)
SCHEMBL7909650 0.82 ATR (0.46) ATRGSK3BDYRK1AIRAK4JAK2
SCHEMBL437390 0.82 ATR (0.52) ATRGSK3BDYRK1AIRAK4JAK2
SCHEMBL29840658 0.82 ATR (0.52) ATRGSK3BDYRK1AIRAK4JAK2
SCHEMBL29393227 0.82 ATR (0.46) ATRGSK3BDYRK1AIRAK4IGF1R
SCHEMBL1133582 0.82 ATR (0.46) ATRGSK3BDYRK1AIRAK4IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 US disclosed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 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-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB ATR 318/4885GSK3B 73/4885DYRK1A 707/4885

“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.