SCHEMBL4101940

SCHEMBL4101940

CC(C)C(NCCCNC(=O)OC(C)(C)C)c1nc2c(sc3ncccc32)c(=O)n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
TLR7 Q9NYK1 5/20 0.37
CYP3A4 P08684 2/20 0.36
PDPK1 O15530 1/20 0.35
CCNB2 O95067 1/20 0.35
PRKCB P05771 1/20 0.35
CDK1 P06493 1/20 0.35
LYN P07948 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
RPS6KA3 P51812 1/20 0.35
CCNA1 P78396 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4752600 0.83 KIF11 (0.42) KIF11TLR7CYP3A4PDPK1CCNB2
SCHEMBL5112019 0.82 KIF11 (0.43) KIF11TLR7CYP3A4KDM4EMAPT
SCHEMBL14393453 0.81 PDE4A (0.45) KIF11CYP3A4PDPK1CCNB2PRKCB
SCHEMBL14544725 0.81 PDE4A (0.45) KIF11CYP3A4PDPK1CCNB2PRKCB
SCHEMBL4752599 0.81 KIF11 (0.46) KIF11TLR7CYP3A4PDPK1CCNB2
SCHEMBL13956802 0.81 KIF11 (0.46) KIF11TLR7MAPTNPSR1
SCHEMBL4091501 0.81 TP53 (0.45) KIF11TLR7MAPTNPSR1KMT2A
SCHEMBL4091503 0.81 TP53 (0.45) KIF11TLR7MAPTNPSR1KMT2A
SCHEMBL5107451 0.80 KIF11 (0.47) KIF11TLR7CYP3A4SCN9ASCN10A
SCHEMBL5647214 0.79 KIF11 (0.48) KIF11CYP3A4

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 4878/4885CYP3A4 4487/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C KIF11 9/4885TLR7 4878/4885CYP3A4 4487/4885

“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.