SCHEMBL4034641

SCHEMBL4034641

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 11/20 1.00
PLK1 P53350 11/20 0.86
PLK4 O00444 2/20 0.65
AURKA O14965 2/20 0.65
JAK2 O60674 2/20 0.65
LCK P06239 2/20 0.65
CSF1R P07333 2/20 0.65
FGFR1 P11362 2/20 0.65
SRC P12931 2/20 0.65
FLT1 P17948 2/20 0.65
CDK2 P24941 2/20 0.65
AXL P30530 2/20 0.65
FLT4 P35916 2/20 0.65
KDR P35968 2/20 0.65
GSK3B P49841 2/20 0.65
NEK2 P51955 2/20 0.65
JAK3 P52333 2/20 0.65
LIMK1 P53667 2/20 0.65
STK3 Q13188 2/20 0.65
DYRK1A Q13627 2/20 0.65

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
SCHEMBL4038453 0.93 IKBKE (1.00) IKBKEPLK1PLK4AURKAJAK2
SCHEMBL4033240 0.86 IKBKE (1.00) IKBKEPLK1PLK4AURKAJAK2
SCHEMBL4034598 0.85 PLK1 (0.88) IKBKEPLK1PLK4AURKAJAK2
SCHEMBL4032804 0.82 IKBKE (0.80) IKBKEPLK1PLK3TBK1
SCHEMBL4033041 0.82 IKBKE (0.79) IKBKEPLK1PLK4AURKAJAK2
Gsk-1030058A SCHEMBL5058261 0.80 PLK1 (0.87) IKBKEPLK1PLK4AURKAJAK2
SCHEMBL5062053 0.79 PLK1 (0.77) IKBKEPLK1PLK4AURKAJAK2
SCHEMBL5062302 0.79 PLK1 (0.74) IKBKEPLK1PLK4AURKAJAK2
SCHEMBL5058278 0.79 PLK1 (1.00) IKBKEPLK1PLK4AURKAJAK2
SCHEMBL14050183 0.79 IKBKE (0.65) IKBKEPLK1PLK4AURKAJAK2

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
EP-1720864-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LTD (GB) 2009-05-06 EP claimed
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
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 GLAXO GROUP LIMITED (GB) 2007-06-28 US disclosed
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 GLAXO GROUP LIMITED (GB) 2007-06-28 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-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 IKBKE, IKBKB, TBK1 IKBKE 1/4885PLK1 1088/4885PLK4 930/4885

“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.