SCHEMBL5041014

SCHEMBL5041014

COCCNC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(NCc4ccccc4)cc3)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.57
CDK9 P50750 2/20 0.57
GSK3B P49841 5/20 0.41
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACR P10323 1/20 0.39
BDKRB1 P46663 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39

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
SCHEMBL5036010 0.91 MET (0.62) METCDK9GSK3BSMN1; SMN2ACR
SCHEMBL5036553 0.90 ABL1 (0.47) METCDK9GSK3BABL1
SCHEMBL5037904 0.89 MET (0.58) METCDK9GSK3BRAB9AACR
SCHEMBL5037978 0.88 TUBB4A (0.51) METCDK9TP53RAB9ASMN1; SMN2
SCHEMBL5034005 0.87 MET (0.63) METCDK9GSK3BTP53RAB9A
SCHEMBL5043082 0.87 MET (0.67) METCDK9GSK3BTP53RAB9A
SCHEMBL5036031 0.86 MET (0.56) METCDK9TUBB4ATUBBTUBA3C
SCHEMBL5041116 0.86 MET (0.55) METCDK9GSK3BSMN1; SMN2ACR
SCHEMBL5040712 0.85 CA12 (0.47) METCDK9RAB9ASMN1; SMN2NAMPT
SCHEMBL5036524 0.84 AURKB (0.43) METCDK9RAB9ASMN1; SMN2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432417-B1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2008-02-20 EP disclosed
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US disclosed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 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-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer CDKL3, CCNL2, CDKL1 MET 294/4885CDK9 136/4885GSK3B 3006/4885

“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.