SCHEMBL4034598

SCHEMBL4034598

COc1cc2c(cc1OCCCO)ncn2-c1cc(OCc2ccccc2C(F)(F)F)c(C(N)=O)s1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.88
PLK3 Q9H4B4 4/20 0.88
CSF1R P07333 3/20 0.88
KDR P35968 3/20 0.88
NEK2 P51955 3/20 0.88
LIMK1 P53667 3/20 0.88
STK3 Q13188 3/20 0.88
DYRK1A Q13627 3/20 0.88
BRSK1 Q8TDC3 3/20 0.88
CLK4 Q9HAZ1 3/20 0.88
MAP4K5 Q9Y4K4 3/20 0.88
PLK4 O00444 2/20 0.88
AURKA O14965 2/20 0.88
JAK2 O60674 2/20 0.88
LCK P06239 2/20 0.88
FGFR1 P11362 2/20 0.88
SRC P12931 2/20 0.88
FLT1 P17948 2/20 0.88
CDK2 P24941 2/20 0.88
AXL P30530 2/20 0.88

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
Gw843682X SCHEMBL1286884 0.94 PLK1 (1.00) PLK1PLK3CSF1RKDRNEK2
Gw843682X SCHEMBL31416068 0.94 PLK1 (1.00) PLK1PLK3CSF1RKDRNEK2
Gw843682X SCHEMBL29432471 0.94 PLK1 (1.00) PLK1PLK3CSF1RKDRNEK2
SCHEMBL5058201 0.92 PLK1 (0.88) PLK1PLK3CSF1RKDRNEK2
SCHEMBL5063073 0.92 PLK1 (0.84) PLK1PLK3CSF1RKDRNEK2
SCHEMBL5058163 0.89 PLK1 (0.81) PLK1PLK3CSF1RKDRNEK2
SCHEMBL4041060 0.87 PLK1 (0.78) PLK1PLK3CSF1RKDRNEK2
SCHEMBL5067369 0.87 PLK1 (0.78) PLK1PLK3CSF1RKDRNEK2
SCHEMBL5058144 0.87 PLK1 (0.75) PLK1PLK3CSF1RKDRNEK2
SCHEMBL5058278 0.86 PLK1 (1.00) PLK1PLK3CSF1RKDRNEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720864-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LTD (GB) 2009-05-06 EP disclosed
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 GLAXO GROUP LIMITED (GB) 2007-06-28 US disclosed
EP-1720864-A1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2006-11-15 EP disclosed
WO-2005075465-A1 BENZIMIDAZOL SUBSTITUTED THIOPENE DERIVATIVES WITH ATCTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2005-08-18 WO 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-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 IKBKE, IKBKB, TBK1 PLK1 1088/4885PLK3 413/4885CSF1R 3611/4885

“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.