SCHEMBL5040973

SCHEMBL5040973

O=C(Nc1ccc(F)cc1)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 5/20 0.41
ENPP3 O14638 5/20 0.41
SCN9A Q15858 1/20 0.40
MTOR P42345 2/20 0.39
KDR P35968 2/20 0.39
TEK Q02763 2/20 0.39
ENPP2 Q13822 4/20 0.38
CD38 P28907 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PTK2 Q05397 1/20 0.38
MET P08581 1/20 0.38
CDK9 P50750 1/20 0.38
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ESR1 P03372 2/20 0.37
CYP19A1 P11511 2/20 0.37

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
SCHEMBL5036489 0.93 KDR (0.43) ENPP1ENPP3MTORKDRTEK
SCHEMBL5040820 0.92 MTOR (0.51) SCN9AMTORKDRTEKCD38
SCHEMBL5042878 0.92 KDM4E (0.41) KDRTEKCYP2C8CYP2D6CYP2C9
SCHEMBL5033479 0.92 MEN1 (0.42) ENPP1ENPP3KDRTEKENPP2
SCHEMBL5042989 0.90 CA12 (0.40) KDRTEKCYP2C8CYP2D6CYP2C9
SCHEMBL5040723 0.88 RAF1 (0.42) KDRTEKMETCDK9
SCHEMBL5036681 0.88 NPC1 (0.49) SCN9AMTORKDRTEKCYP2D6
SCHEMBL5036005 0.87 KDR (0.46) MTORKDRTEKCD38CYP2D6
SCHEMBL5040954 0.86 MAPT (0.38) CYP2C8CYP2D6CYP2C9PTK2MET
SCHEMBL5035937 0.86 MET (0.43) CYP2D6METCDK9CA9CA1

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-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US claimed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
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 ENPP1 3915/4885ENPP3 2927/4885SCN9A 2761/4885

“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.