SCHEMBL2086330

SCHEMBL2086330

COc1ccnc2c1ccn2S(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.61
CYP2C19 P33261 1/20 0.55
SLC40A1 Q9NP59 1/20 0.49
MET P08581 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.43
PKM P14618 1/20 0.42
FABP4 P15090 1/20 0.42

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
SCHEMBL1778592 0.88 L3MBTL1 (0.56) HTR6CYP2C19L3MBTL1POLBPKM
SCHEMBL1672537 0.82 CYP2C19 (0.58) HTR6CYP2C19METL3MBTL1MEN1
SCHEMBL31668610 0.81 HTR6 (0.47) HTR6CYP2C19METL3MBTL1POLB
SCHEMBL16040211 0.81 HTR6 (0.49) HTR6CYP2C19
SCHEMBL17535066 0.81 HTR6 (0.54) HTR6CYP2C19METL3MBTL1POLB
SCHEMBL31668616 0.80 HTR6 (0.46) HTR6CYP2C19L3MBTL1POLBMEN1
SCHEMBL13014082 0.79 CYP2C19 (0.58) HTR6CYP2C19METL3MBTL1MEN1
SCHEMBL1683430 0.79 CYP2C19 (0.58) HTR6CYP2C19METL3MBTL1MEN1
SCHEMBL17628860 0.79 CYP2C19 (0.58) HTR6CYP2C19METL3MBTL1MEN1
SCHEMBL414843 0.79 CYP2C19 (0.58) HTR6CYP2C19METL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716493-B2 Multicyclic compounds and the use thereof CEPHALON, INC. (US) 2014-05-06 US disclosed
EP-2066324-B1 CYCLOALKANOPYROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON INC (US) 2013-05-29 EP disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF CEPHALON, INC. (US) 2011-03-10 US disclosed
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF CEPHALON, INC. (US) 2011-03-10 US disclosed
EP-2066324-A2 CYCLOALKANOPYROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON, INC. (US) 2009-06-10 EP disclosed
WO-2007149451-A2 CYCLOALKANOPYRROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON, INC. (US) 2007-12-27 WO disclosed
US-20060276497-A1 Novel multicyclic compounds and the use thereof CEPHALON, INC. (US) 2006-12-07 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 (3 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-20060276497-A1 Novel multicyclic compounds and the use thereof MLKL, PARP3, PARP1 HTR6 1439/4885CYP2C19 1885/4885SLC40A1 4764/4885
US-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 HTR6 3348/4885CYP2C19 1492/4885SLC40A1 4654/4885
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 HTR6 1439/4885CYP2C19 1885/4885SLC40A1 4764/4885

“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.