SCHEMBL26686103

SCHEMBL26686103

N#CCCNc1cc(I)ccn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
THRB P10828 1/20 0.39
GAA P10253 3/20 0.38
ALDH1A1 P00352 1/20 0.36
KDM4D Q6B0I6 2/20 0.35
HTR7 P34969 2/20 0.33
HRH4 Q9H3N8 3/20 0.33
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
NOS2 P35228 1/20 0.31
NR3C2 P08235 1/20 0.31
USP30 Q70CQ3 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
CYP1A2 P05177 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
SCHEMBL30633304 0.77 KARS1 (0.43) KDM4DHTR7HRH4CDK8
SCHEMBL26686450 0.77 KDM4D (0.47) GAAALDH1A1KDM4DCDK8MKNK2
SCHEMBL21457783 0.76 MAPK1 (0.43) HTTTHRBGAAALDH1A1NOS2
SCHEMBL26686647 0.74 HDAC8 (0.32)
SCHEMBL19892745 0.74 CYP1A2 (0.56) GAAALDH1A1CYP1A2
SCHEMBL29378610 0.74 CYP1A2 (0.56) GAAALDH1A1CYP1A2
SCHEMBL26686533 0.73 BUB1 (0.38) KDM4DHTR7HRH4CCNCCDK8
SCHEMBL26686336 0.73 LRRK2 (0.50) ALDH1A1HTR7MKNK1MKNK2CYP1A2
SCHEMBL13457807 0.73 NOS2 (0.39) ALDH1A1HTR7HRH4NOS2
Hydrochloric Acid SCHEMBL21457784 0.72 CYP1A2 (0.54) GAAALDH1A1CYP1A2

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-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
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 HTT 2690/4885THRB 2513/4885GAA 2883/4885

“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.