SCHEMBL5863210

SCHEMBL5863210

CC(C)(C)OC(=O)C(CCN)C(=O)Nn1cccc1C(N)=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.30
LTA4H P09960 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
SCHEMBL5863065 0.77 CTSK (0.45)
SCHEMBL8135865 0.76 CTSS (0.41)
SCHEMBL1854385 0.76 KDM4E (0.37)
SCHEMBL3314258 0.71 NPFFR1 (0.39)
SCHEMBL28367005 0.70 NOS1 (0.33) LTA4H
SCHEMBL27543936 0.68 NOS1 (0.38) AAK1
SCHEMBL27542596 0.67 CA12 (0.36) AAK1
SCHEMBL1298778 0.67 LMNA (0.38)
SCHEMBL27930493 0.66 GABRR1 (0.43) AAK1
SCHEMBL27657696 0.66 GABRR1 (0.43) AAK1

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-7030118-B2 Pyrrolotriazinone compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
US-20030232832-A1 Nitrogen compounds such as N-(3-Aminopropyl)-N-(1-(3-benzyl-4 -oxo-3,4-dihydropyrrolo(2,1-f)(1,2,4)-triazine-2-yl)-propyl)-4 -methylbenzamide, trifluoroacetic acid salt, used as anticarcinogenic or antiproliferative agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-18 US 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-20030232832-A1 Nitrogen compounds such as N-(3-Aminopropyl)-N-(1-(3-benzyl-4 -oxo-3,4-dihydropyrrolo(2,1-f)(1,2,4)-triazine-2-yl)-propyl)-4 -methylbenzamide, trifluoroacetic acid salt, used as anticarcinogenic or antiproliferative agents CCNB1, NUMA1, CCNA1 AAK1 1420/4885LTA4H 4332/4885

“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.