SCHEMBL5033433

SCHEMBL5033433

O=C(NCCN1CCOCC1)Nc1nc2ccc(OS(=O)(=O)c3ccc(NCc4ccccn4)cc3)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.44
CDK9 P50750 2/20 0.44
TSHR P16473 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
ACR P10323 1/20 0.39
CA7 P43166 1/20 0.39
NAMPT P43490 1/20 0.39
AURKB Q96GD4 2/20 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

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
SCHEMBL5036301 0.89 MET (0.47) METCDK9CA1CA2ACR
SCHEMBL5033735 0.88 MET (0.46) METCDK9CA1CA2ACR
SCHEMBL5036676 0.87 MET (0.49) METCDK9TSHRACRNAMPT
SCHEMBL5036827 0.87 MET (0.49) METCDK9TSHRACRNAMPT
SCHEMBL5037550 0.87 CA1 (0.50) METCDK9CA1CA2ACR
SCHEMBL5036378 0.87 CA12 (0.50) METCDK9CA1CA2ACR
SCHEMBL5040725 0.87 MET (0.48) METCDK9TSHRCA1CA2
SCHEMBL5042866 0.86 AURKB (0.48) METCDK9NAMPTAURKBTUBB4A
SCHEMBL5040792 0.86 MET (0.49) METCDK9TSHRACRNAMPT
SCHEMBL14300260 0.85 MET (0.45) METCDK9TSHRACRNAMPT

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-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
EP-1432417-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2004-06-30 EP disclosed
WO-2003028721-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA S.A. (FR) 2003-04-10 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-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer CDKL3, CCNL2, CDKL1 MET 294/4885CDK9 136/4885TSHR 1137/4885

“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.