SCHEMBL4037682

SCHEMBL4037682

N#Cc1sc(-n2cnc3cc(C(=O)NCCN4CCOCC4)ccc32)cc1OCc1ccccc1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 7/20 0.66
PLK1 P53350 11/20 0.57
NEK2 P51955 4/20 0.48
CSF1R P07333 3/20 0.48
KDR P35968 3/20 0.48
LIMK1 P53667 3/20 0.48
STK3 Q13188 3/20 0.48
DYRK1A Q13627 3/20 0.48
BRSK1 Q8TDC3 3/20 0.48
PLK3 Q9H4B4 3/20 0.48
CLK4 Q9HAZ1 3/20 0.48
MAP4K5 Q9Y4K4 3/20 0.48
PIM1 P11309 2/20 0.48
PKN2 Q16513 2/20 0.48
HIPK4 Q8NE63 2/20 0.48
AURKB Q96GD4 2/20 0.48
MAP4K4 O95819 2/20 0.48
SLK Q9H2G2 2/20 0.48
CAMK2B Q13554 1/20 0.48
CAMK2G Q13555 1/20 0.48

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
SCHEMBL14500931 0.90 IKBKE (0.53) IKBKEPLK1NEK2CSF1RKDR
SCHEMBL4034885 0.89 PLK1 (0.64) IKBKEPLK1NEK2CSF1RKDR
SCHEMBL14490097 0.81 IKBKE (0.85) IKBKEPLK1NEK2CSF1RKDR
SCHEMBL4033240 0.80 IKBKE (1.00) IKBKEPLK1NEK2CSF1RKDR
SCHEMBL3737267 0.78 IKBKE (0.55) IKBKEPLK1NEK2CSF1RKDR
SCHEMBL5062555 0.78 PLK1 (0.56) IKBKEPLK1NEK2CSF1RKDR
SCHEMBL3729503 0.78 PLK1 (0.61) IKBKEPLK1NEK2CSF1RKDR
SCHEMBL5062340 0.77 PLK1 (0.62) PLK1NEK2CSF1RKDRLIMK1
SCHEMBL5062352 0.75 PLK1 (0.62) IKBKEPLK1NEK2CSF1RKDR
SCHEMBL4038453 0.74 IKBKE (1.00) IKBKEPLK1NEK2CSF1RKDR

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-2259787-B1 IKKI INHIBITOR THERAPIES AND SCREENING METHODS, AND RELATED IKKI DIAGNOSTICS UNIV MICHIGAN (US) 2015-12-23 EP disclosed
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

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 1088/4885NEK2 773/4885

“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.