SCHEMBL5460995

SCHEMBL5460995

O=S(=O)(c1ccccn1)c1cc2ccc(Cl)cc2n2nnnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
CUL4A Q13619 1/20 0.43
CNR1 P21554 2/20 0.39
MAPT P10636 4/20 0.37
TP53 P04637 1/20 0.37
TNKS O95271 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C9 P11712 1/20 0.35
CNR2 P34972 1/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
THRB P10828 1/20 0.35
TXNRD1 Q16881 1/20 0.34
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MET P08581 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL4485729 0.78 CUL4A (0.42) KDM4ECUL4AMAPTTP53POLB
SCHEMBL5114484 0.75 CUL4A (0.48) KDM4EPKMCUL4AMAPTTP53
SCHEMBL14233205 0.75 CUL4A (0.41) KDM4ECUL4AMAPTTP53POLB
SCHEMBL4488056 0.75 CA1 (0.39) KDM4ECUL4AMAPTTP53TNKS
SCHEMBL5117130 0.70 MEN1 (0.51) KDM4EPKMMAPTTP53TNKS
SCHEMBL11822565 0.67 CUL4A (0.63) KDM4ECUL4AMAPTTP53TNKS
SCHEMBL4482553 0.67 CUL4A (0.52) KDM4ECUL4AMAPTTP53TNKS
SCHEMBL4498718 0.66 CUL4A (0.51) KDM4ECUL4AMAPTTP53TNKS
SCHEMBL5103400 0.66 CUL4A (0.51) KDM4ECUL4AMAPTTNKSHPGD
SCHEMBL5108852 0.66 CUL4A (0.48) KDM4ECUL4AMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1668009-A1 HCV INHIBITORS AND METHODS OF USING THEM Rigel Pharmaceuticals, Inc. (US) 2006-06-14 EP claimed
US-20050090521-A1 HCV inhibitors and methods of using them RIGEL PHARMACEUTICALS, INC. 2005-04-28 US claimed
WO-2005030774-A1 HCV INHIBITORS AND METHODS OF USING THEM RIGEL PHARMACEUTICALS, INC. (US) 2005-04-07 WO claimed
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20050090521-A1 HCV inhibitors and methods of using them RIGEL PHARMACEUTICALS, INC. 2005-04-28 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 (2 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-20070149520-A1 HCV Inhibitors And Methods Of Using Them HAVCR2, GLS2, EIF2AK2 KDM4E 3202/4885PKM 4456/4885CUL4A 56/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 KDM4E 3202/4885PKM 4456/4885CUL4A 56/4885

“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.