SCHEMBL7108340

SCHEMBL7108340

CCC(N(CCCNC(=O)OC(C)(C)C)C(=O)c1ccc(C)cc1)N1CNC(=O)n2cccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.47
DRD2 P14416 7/20 0.36
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
CNR2 P34972 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MALT1 Q9UDY8 1/20 0.31

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
SCHEMBL7107737 0.80 KIF11 (0.45) KIF11DRD2
SCHEMBL5863351 0.72 KIF11 (0.52) KIF11CCNCCDK8
SCHEMBL5863317 0.69 KIF11 (0.58) KIF11
SCHEMBL5863197 0.69 KIF11 (0.60) KIF11
SCHEMBL5863767 0.68 KIF11 (0.77) KIF11
SCHEMBL5863217 0.67 KIF11 (0.67) KIF11
SCHEMBL14377557 0.66 KIF11 (0.51) KIF11
SCHEMBL14280879 0.66 KIF11 (0.54) KIF11
SCHEMBL14679108 0.63 L3MBTL1 (0.61) CCNCCDK8TDP1
SCHEMBL17623630 0.63 L3MBTL1 (0.57) CCNCCDK8TDP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KIF11 858/4885DRD2 4368/4885CCNC 29/4885

“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.