SCHEMBL4719451

SCHEMBL4719451

CS(=O)(=O)COc1cc[c]cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TSHR P16473 2/20 0.32
PTPN1 P18031 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NQO1 P15559 1/20 0.31
AR P10275 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
POLB P06746 1/20 0.30
CYP11B1 P15538 1/20 0.30

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
SCHEMBL3154703 0.80 CA12 (0.37) CA12CA1CA2CA7CA9
SCHEMBL3165060 0.79 FFAR1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL1604166 0.78 KCNA3 (0.46) CA1CA2CA9NPC1RAB9A
SCHEMBL26640921 0.77 TDP1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL13461987 0.77 CA1 (0.47) CA1CA2CA9NPC1RAB9A
SCHEMBL7990247 0.75 ALDH1A1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL4721607 0.74 CDC7 (0.41) SMN1; SMN2ALDH1A1LMNA
SCHEMBL9030917 0.73 PSIP1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL20864256 0.72 FEN1 (0.38) FEN1CA12CA1CA2CA7
SCHEMBL15904066 0.72 ALDH1A1 (0.59) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689393-A4 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-12-17 EP disclosed
US-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors LEE DENNIS 2007-05-31 US disclosed
EP-1689393-A2 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-08-16 EP disclosed
WO-2005037198-A2 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors TNK2, CDC42BPB, CDC42BPA FEN1 1671/4885CA12 4880/4885CA1 4785/4885

“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.