SCHEMBL13040271

SCHEMBL13040271

O=C1CCCn2nncc2COCC2CCCN12

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 16/20 0.39

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
SCHEMBL13040273 0.96 KRAS (0.42) KRAS
SCHEMBL13040274 0.96 KRAS (0.39) KRAS
SCHEMBL13040276 0.94 KRAS (0.41) KRAS
SCHEMBL13040293 0.73 BTK (0.33)
SCHEMBL13040280 0.72 BRD4 (0.42) KRAS
SCHEMBL26892058 0.72 NOTUM (0.37)
SCHEMBL2252651 0.72 NOTUM (0.37)
SCHEMBL13040285 0.71 BRD4 (0.45) KRAS
SCHEMBL13040295 0.70 PAX8 (0.31)
SCHEMBL13040294 0.70 LTA4H (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280238-A1 INTRAMOLECULAR AZIDE-ALKYNE CYCLOADDITION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-11-04 US disclosed
US-20100280238-A1 INTRAMOLECULAR AZIDE-ALKYNE CYCLOADDITION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-11-04 US disclosed
WO-2010127088-A2 INTRAMOLECULAR AZIDE-ALKYNE CYCLOADDITION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-11-04 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-20100280238-A1 INTRAMOLECULAR AZIDE-ALKYNE CYCLOADDITION APOBEC3G, HYOU1, HTR3C KRAS 3558/4885

“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.