SCHEMBL5036073

SCHEMBL5036073

CN1CCN(CCCNC(=O)Nc2nc3cc(OS(=O)(=O)c4ccc(-n5ccnc5)cc4)ccc3[nH]2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.44
DRD2 P14416 5/20 0.42
MET P08581 1/20 0.41
CDK9 P50750 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.37
QPCT Q16769 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NAMPT P43490 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
SCHEMBL5036703 0.95 DRD3 (0.42) DRD3DRD2METCDK9CYP1A2
SCHEMBL5042872 0.91 MET (0.40) DRD3DRD2METCDK9CYP1A2
SCHEMBL5042894 0.90 MET (0.40) DRD3DRD2METCDK9CYP1A2
SCHEMBL5043076 0.89 MEN1 (0.44) METCDK9CYP1A2CYP2D6CYP2C9
SCHEMBL5140307 0.89 MET (0.45) DRD3METCDK9CYP1A2CYP2D6
SCHEMBL5036238 0.88 MET (0.45) DRD3DRD2METCDK9KMT2A
SCHEMBL5037640 0.88 MET (0.45) DRD3METCDK9CYP2D6KMT2A
SCHEMBL5040744 0.88 CYP1A2 (0.45) DRD3METCDK9CYP1A2CYP2D6
SCHEMBL5037648 0.88 MET (0.43) DRD3DRD2METCDK9CYP2D6
SCHEMBL7046357 0.87 NAMPT (0.40) NAMPT

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 DRD3 1131/4885DRD2 1796/4885MET 294/4885

“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.