SCHEMBL4096829

SCHEMBL4096829

CC(C)C(NCCCNC(=O)OC(C)(C)C)c1nc2nc3ccccc3nc2c(=O)n1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
TLR7 Q9NYK1 5/20 0.40
BRD4 O60885 3/20 0.38
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
RUNX1 Q01196 1/20 0.37
KMT2A Q03164 1/20 0.37
CBFB Q13951 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
GNRHR P30968 1/20 0.37

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
SCHEMBL5112019 0.89 KIF11 (0.43) KIF11TLR7NPSR1KDM4EMEN1
SCHEMBL4102093 0.85 KIF11 (0.46) KIF11TLR7BRD4NPSR1KDM4E
SCHEMBL13956802 0.85 KIF11 (0.46) KIF11TLR7BRD4NPSR1ALDH1A1
SCHEMBL3496753 0.85 BRD4 (0.47) KIF11TLR7BRD4MEN1USP2
SCHEMBL3492752 0.85 BRD4 (0.47) KIF11TLR7BRD4MEN1USP2
SCHEMBL5107451 0.83 KIF11 (0.47) KIF11TLR7BRD4GNRHRTDP1
SCHEMBL5647214 0.82 KIF11 (0.48) KIF11BRD4TDP1
SCHEMBL5650348 0.82 KIF11 (0.48) KIF11BRD4TDP1
SCHEMBL14408888 0.82 KIF11 (0.45) KIF11BRD4NPSR1MEN1MAPT
SCHEMBL4753082 0.81 TLR7 (0.41) KIF11TLR7BRD4NPSR1MALT1

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-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 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 (2 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-20090214529-A9 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C KIF11 9/4885TLR7 4878/4885BRD4 2120/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C KIF11 9/4885TLR7 4878/4885BRD4 2120/4885

“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.