SCHEMBL26686308

SCHEMBL26686308

Nc1nccc(Cl)c1C#CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.47
LTA4H P09960 1/20 0.37
MAPK14 Q16539 1/20 0.37
BACE1 P56817 3/20 0.36
ROCK1 Q13464 2/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NR4A2 P43354 1/20 0.33
F12 P00748 1/20 0.33
PLAU P00749 1/20 0.33
NCF1 P14598 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ROCK2 O75116 1/20 0.32
KCNH2 Q12809 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
SCHEMBL26686605 0.79 AHCY (0.40) TLR7NR4A2NOS3NOS2ALDH1A1
SCHEMBL26686661 0.79 GRM4 (0.47) DHFRBACE1NPC1MAPTF12
SCHEMBL26887029 0.76 TLR7 (0.43) EGFRTLR7MAPTNOS3NOS2
SCHEMBL26686252 0.76 PTPN1 (0.35) TLR7NOS3NOS2
SCHEMBL26887037 0.74 TLR7 (0.46) MAPK14EGFRTLR7MAPTNOS3
SCHEMBL26886972 0.73 KDM4E (0.44) BACE1EGFRERBB2NPC1MAPT
SCHEMBL5925793 0.72 MAPK14 (0.47) DHFRLTA4HMAPK14BACE1ROCK1
SCHEMBL31420500 0.72 NOS2 (0.32) TLR7NPC1MAPTRAB9ANOS3
SCHEMBL26686455 0.72 NOS2 (0.32) NOS3NOS2
SCHEMBL26686459 0.72 NOS2 (0.32) TLR7NPC1MAPTRAB9ANOS3

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 DHFR 1154/4885LTA4H 2863/4885MAPK14 653/4885

“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.