SCHEMBL3905973

SCHEMBL3905973

Cc1ccc(C(=O)N(CCCNC(=O)OC(C)(C)C)CCCc2nc3onc(C)c3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.51
TLR7 Q9NYK1 6/20 0.39
GNRHR P30968 1/20 0.38
KIF23 Q02241 1/20 0.37
AGTR1 P30556 2/20 0.36
AGTR2 P50052 2/20 0.36
MC4R P32245 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL5739696 0.92 KIF11 (0.55) KIF11KIF23AGTR1AGTR2
SCHEMBL5248554 0.90 KIF11 (0.49) KIF11KIF23MC4R
SCHEMBL4859195 0.88 KIF11 (0.54) KIF11KIF23AGTR1AGTR2
SCHEMBL5246236 0.86 KIF11 (0.52) KIF11TLR7GNRHRKIF23MC4R
SCHEMBL3961772 0.86 KIF11 (0.67) KIF11KIF23
SCHEMBL5246052 0.85 TLR7 (0.43) KIF11TLR7GNRHRSIGMAR1
SCHEMBL3865232 0.83 KIF11 (0.60) KIF11KIF23
SCHEMBL3887257 0.83 KIF11 (0.75) KIF11
SCHEMBL5740939 0.81 KIF11 (0.47) KIF11TLR7GNRHRKIF23MC4R
SCHEMBL5246048 0.81 KIF11 (0.44) KIF11TLR7SIGMAR1

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-7498333-B2 Enantiomers of selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2009-03-03 US disclosed
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2006-02-23 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-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof CYP11B2, HCCS, CYP11B1 KIF11 3171/4885TLR7 4050/4885GNRHR 529/4885

“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.