Sugi Predict

Sugi Predict / Compounds / SCHEMBL5216588

SCHEMBL5216588

SCHEMBL5216588

COc1ccc(C(Cc2cc(Cl)ccn2)=NO)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ TLR4 O00206 2/20 0.44
▸ XDH P47989 2/20 0.44
▸ NLRP3 Q96P20 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ PKM P14618 2/20 0.37
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35

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
SCHEMBL5216584 1.00 SMN1; SMN2 (0.55) SMN1; SMN2KDM4ETLR4XDHNLRP3
SCHEMBL12465686 0.87 SMN1; SMN2 (0.55) SMN1; SMN2KDM4ETLR4XDHNLRP3
SCHEMBL9953799 0.87 SMN1; SMN2 (0.55) SMN1; SMN2KDM4ETLR4XDHNLRP3
SCHEMBL12465688 0.87 SMN1; SMN2 (0.55) SMN1; SMN2KDM4ETLR4XDHNLRP3
SCHEMBL5219714 0.82 RAB9A (0.38) SMN1; SMN2KDM4ERAB9ANPC1GAA
SCHEMBL5219709 0.82 RAB9A (0.38) SMN1; SMN2KDM4ERAB9ANPC1GAA
SCHEMBL5219339 0.81 NPC1 (0.50) SMN1; SMN2RAB9ANPC1MAPTHPGD
SCHEMBL12543647 0.77 NPC1 (0.38) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL2011684 0.77 NPC1 (0.38) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL5351150 0.75 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ETLR4XDHNLRP3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423389-B1 PYRAZOLO-PYRIDINES FOR THE TREATMENT OF HERPES INFECTIONS SMITHKLINE BEECHAM CORP (US) 2007-06-06 — — EP disclosed
US-7141569-B2 Antiviral pyrazolopyridine compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-11-28 — — US disclosed
US-20060235043-A1 Antiviral Pyrazolopyridine Compounds CHEUNG MUI 2006-10-19 — — US disclosed
EP-1377575-B1 ANTIVIRAL PYRAZOLOPYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-07-05 — — EP disclosed
US-7030134-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-04-18 — — US disclosed
US-6962914-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-11-08 — — US disclosed
US-20050192303-A1 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds GUDMUNDSSON KRISTJAN (US) 2005-09-01 — — US disclosed
US-20050192295-A1 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds GUDMUNDSSON KRISTJAN (US) 2005-09-01 — — US disclosed
EP-1385847-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2005-06-01 — — EP disclosed
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-05-19 — — US disclosed
US-20040167335-A1 Antiviral pyrazolopyridine compounds SMITHKLINE BEECHAM CORPORATION 2004-08-26 — — US disclosed
US-20040142941-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2004-07-22 — — US disclosed
EP-1423389-A1 PYRAZOLO-PYRIDINES FOR THE TREATMENT OF HERPES INFECTIONS SmithKline Beecham Corporation (US) 2004-06-02 — — EP disclosed
EP-1385847-A2 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES SmithKline Beecham Corporation (US) 2004-02-04 — — EP disclosed
EP-1377575-A1 ANTIVIRAL PYRAZOLOPYRIDINE COMPOUNDS SmithKline Beecham Corporation (US) 2004-01-07 — — EP disclosed
EP-1372642-A1 USE OF PYRAZOLOPYRIDINES AS THERAPEUTIC COMPOUNDS SmithKline Beecham Corporation (US) 2004-01-02 — — EP disclosed
WO-2003022845-A1 PYRAZOLO-PYRIDINES FOR THE TREATMENT OF HERPES INFECTIONS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 — — WO disclosed
WO-2002088124-A2 PYRAZOLO'1,5-A!PYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-07 — — WO disclosed
WO-2002083672-A1 ANTIVIRAL PYRAZOLOPYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-24 — — WO disclosed
WO-2002078701-A1 USE OF PYRAZOLOPYRIDINES AS THERAPEUTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 — — 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 (6 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-20040142941-A1 Therapeutic compounds PCSK9, ABCB1, ABCB11 SMN1; SMN2 1158/4885KDM4E 4083/4885TLR4 3912/4885
US-20050192295-A1 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds DPYD, TYMP, P2RY4 SMN1; SMN2 2629/4885KDM4E 2544/4885TLR4 3051/4885
US-20060235043-A1 Antiviral Pyrazolopyridine Compounds TYMP, DPYD, EIF2AK2 SMN1; SMN2 1692/4885KDM4E 1474/4885TLR4 2187/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 SMN1; SMN2 3965/4885KDM4E 3044/4885TLR4 1923/4885
US-20050192303-A1 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds DPYD, TYMP, P2RY4 SMN1; SMN2 2629/4885KDM4E 2544/4885TLR4 3051/4885
US-20040167335-A1 Antiviral pyrazolopyridine compounds TYMP, ZC3HAV1, DPYD SMN1; SMN2 2827/4885KDM4E 1536/4885TLR4 2137/4885

“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.