SCHEMBL4101339

SCHEMBL4101339

CCOC(=O)c1c(-c2nc3ccc(C4CC4)cc3[nH]2)n[nH]c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.47
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
SIRT2 Q8IXJ6 6/20 0.44
SIRT1 Q96EB6 5/20 0.44
SIRT3 Q9NTG7 2/20 0.44
PDE4D Q08499 1/20 0.41
FGFR1 P11362 2/20 0.40
KDR P35968 1/20 0.40
SOAT1 P35610 2/20 0.40
ITK Q08881 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BRD4 O60885 1/20 0.37
AURKA O14965 1/20 0.37
MAPK10 P53779 1/20 0.37
RIPK1 Q13546 1/20 0.37
FLT1 P17948 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 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
SCHEMBL5951954 0.82 PDE4D (0.50) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL13849246 0.79 FLT3 (0.49)
SCHEMBL4095689 0.76 FLT3 (0.49) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL4091122 0.74 SIRT2 (0.41) DGAT1PKN1PKN2SIRT2SIRT1
SCHEMBL12108636 0.73 PKN1 (0.45) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL1299865 0.72 PKN1 (0.49) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL13850422 0.72 AURKA (0.48) DGAT1FGFR1KDRSOAT1SMN1; SMN2
SCHEMBL1300899 0.71 RAB9A (0.49) PKN1PKN2SIRT2SIRT1SIRT3
SCHEMBL4097487 0.71 CHEK1 (0.51) FGFR1KDRSMN1; SMN2BRD4AURKA
SCHEMBL13849192 0.70 FLT3 (0.46) PKN1PKN2SIRT2SIRT1SIRT3

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
US-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2009-05-21 US disclosed
US-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2009-05-21 US disclosed
EP-1891048-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS Vernalis (R&D) Limited (GB) 2008-02-27 EP disclosed
WO-2006134318-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2006-12-21 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-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS PDK1, CHEK1, PDK3 DGAT1 3340/4885PKN1 122/4885PKN2 22/4885

“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.