SCHEMBL4092214

SCHEMBL4092214

CCC(NCCCNC(=O)OC(C)(C)C)c1nc2nc3ccccc3cc2c(=O)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.47
TLR7 Q9NYK1 6/20 0.41
TDP1 Q9NUW8 1/20 0.40
BRD4 O60885 3/20 0.39
GNRHR P30968 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SYK P43405 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
SCHEMBL4750950 0.82 TLR7 (0.48) KIF11TLR7TDP1BRD4GNRHR
SCHEMBL4750947 0.82 KIF11 (0.45) KIF11TLR7TDP1GNRHRKDM4E
SCHEMBL4102334 0.80 KIF11 (0.46) KIF11TLR7TDP1BRD4GNRHR
SCHEMBL5532768 0.80 KIF11 (0.47) KIF11TDP1BRD4GNRHRKDM4E
SCHEMBL5863338 0.79 KIF11 (0.48) KIF11TLR7BRD4GNRHRMAPT
SCHEMBL4102093 0.78 KIF11 (0.46) KIF11TLR7TDP1BRD4GNRHR
SCHEMBL3871323 0.78 KIF11 (0.49) KIF11TLR7BRD4MAPTKDM4E
SCHEMBL3901568 0.78 KIF11 (0.49) KIF11TLR7BRD4GNRHRMAPT
SCHEMBL4004013 0.77 KIF11 (0.43) KIF11TLR7BRD4MAPTSYK
SCHEMBL5863530 0.77 KIF11 (0.47) KIF11TLR7BRD4GNRHRMAPT

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 4878/4885TDP1 422/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C KIF11 9/4885TLR7 4878/4885TDP1 422/4885

“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.