SCHEMBL4095689

SCHEMBL4095689

CCOC(=O)c1ccc2nc(-c3n[nH]c(C)c3C(=O)NC3CCNCC3)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.49
PKN1 Q16512 1/20 0.49
PKN2 Q16513 1/20 0.49
SIRT2 Q8IXJ6 6/20 0.48
SIRT1 Q96EB6 5/20 0.48
SIRT3 Q9NTG7 2/20 0.48
CHEK1 O14757 1/20 0.47
SMYD3 Q9H7B4 1/20 0.44
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
BRD4 O60885 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
DHODH Q02127 1/20 0.41
CHEK2 O96017 1/20 0.40

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
SCHEMBL13849192 0.93 FLT3 (0.46) FLT3PKN1PKN2SIRT2SIRT1
SCHEMBL4104351 0.88 FLT3 (0.56) FLT3CHEK1SMYD3FGFR1FGFR2
SCHEMBL13849231 0.87 FLT3 (0.50) FLT3CHEK1SMYD3FGFR1FGFR2
SCHEMBL13849241 0.83 FLT3 (0.47) FLT3CHEK1SMYD3FGFR1DHODH
SCHEMBL13849246 0.83 FLT3 (0.49) FLT3CHEK1SMYD3DHODH
SCHEMBL13849238 0.82 FLT3 (0.48) FLT3PKN2CHEK1SMYD3FGFR1
SCHEMBL4090783 0.82 CHEK1 (0.56) FLT3CHEK1SMYD3FGFR1BRD4
SCHEMBL4104292 0.81 CHEK1 (0.47) FLT3CHEK1SMYD3DHODH
SCHEMBL13849237 0.81 CHEK1 (0.47) FLT3CHEK1SMYD3DHODH
SCHEMBL13849228 0.81 CHEK1 (0.47) FLT3CHEK1SMYD3

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-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
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 FLT3 344/4885PKN1 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.