SCHEMBL4719367

SCHEMBL4719367

CS(=O)(=O)n1cc(C=O)c2cccnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
KDM4E B2RXH2 3/20 0.43
UBE2N P61088 1/20 0.43
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
IDO1 P14902 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ERN1 O75460 1/20 0.39
ALDH1A1 P00352 2/20 0.38
IMPDH2 P12268 1/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
FEN1 P39748 1/20 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
SCHEMBL257136 0.82 KDM4E (0.64) KDM4EUBE2NKMT2AL3MBTL1MEN1
SCHEMBL1266455 0.81 HTR6 (0.53) KDM4EUBE2NKMT2AL3MBTL1MEN1
SCHEMBL31404864 0.81 HTR6 (0.53) KDM4EUBE2NKMT2AL3MBTL1MEN1
SCHEMBL970742 0.78 ALDH1A1 (0.54) CDK1KDM4EKMT2AL3MBTL1MEN1
SCHEMBL14303625 0.77 CCR1 (0.43) CCNB2CDK1CCNB1CCNB3KDM4E
SCHEMBL1418230 0.74 KDM4E (0.66) KDM4EUBE2NKMT2AL3MBTL1MEN1
SCHEMBL12146934 0.74 KDM4E (0.46) KDM4EKMT2AL3MBTL1MEN1NPC1
SCHEMBL28657306 0.74 ELANE (0.49) CCNB2CDK1CCNB1CCNB3KDM4E
SCHEMBL4569764 0.73 KMT2A (0.45) KDM4EKMT2AL3MBTL1MEN1NPC1
SCHEMBL2491259 0.73 ELANE (0.59) CCNB2CDK1CCNB1CCNB3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660484-B1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS HOFFMANN LA ROCHE (CH) 2008-08-27 EP disclosed
EP-1660484-B1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS HOFFMANN LA ROCHE (CH) 2008-08-27 EP disclosed
CN-100378097-C Methyl indoles and methyl pyrrolopyridines as alph-1 adrenergic agonists HOFFMANN LA ROCHE (CH) 2008-04-02 CN disclosed
CN-1784397-A Methyl indoles and methyl pyrrolopyridines as alph-1 adrenergic agonists HOFFMANN LA ROCHE (CH) 2006-06-07 CN disclosed
EP-1660484-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-31 EP disclosed
US-6979696-B2 Method for detecting a gram-negative bacterial autoinducer molecule ROCHE PALO ALTO LLC (US) 2005-12-27 US disclosed
WO-2004099189-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPH-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 WO disclosed
US-20040224973-A1 Substituted indoles as alpha-1 agonists ROCHE PALO ALTO LLC 2004-11-11 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-20040224973-A1 Substituted indoles as alpha-1 agonists ADRA1A, ADRB1, ADRA1D CCNB2 3733/4885CDK1 1912/4885CCNB1 1833/4885

“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.