SCHEMBL298267

SCHEMBL298267

CCOC(=O)c1cnc(-c2cccs2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.65
DBF4 Q9UBU7 1/20 0.65
KDM4E B2RXH2 8/20 0.61
ALDH1A1 P00352 7/20 0.61
KMT2A Q03164 1/20 0.50
MAPT P10636 4/20 0.48
GAA P10253 4/20 0.48
KEAP1 Q14145 1/20 0.48
HPGD P15428 5/20 0.46
CASP1 P29466 1/20 0.46
NPSR1 Q6W5P4 4/20 0.45
HIF1A Q16665 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 4/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44

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
SCHEMBL288491 0.92 CDC7 (0.60) CDC7DBF4KDM4EALDH1A1KMT2A
SCHEMBL289917 0.79 CDC7 (0.62) CDC7DBF4KDM4EALDH1A1KMT2A
SCHEMBL5735273 0.79 CDC7 (1.00) CDC7DBF4ALDH1A1HPGDCASP1
SCHEMBL2225549 0.79 CDC7 (0.79) CDC7DBF4KDM4EALDH1A1KMT2A
SCHEMBL298659 0.78 CDC7 (0.61) CDC7DBF4ALDH1A1KMT2AMAPT
SCHEMBL5759200 0.78 ALDH1A1 (0.56) CDC7DBF4KDM4EALDH1A1KMT2A
SCHEMBL23146170 0.77 CDC7 (0.63) CDC7DBF4KDM4EALDH1A1KMT2A
SCHEMBL3593014 0.77 ALDH1A1 (0.68) CDC7DBF4KDM4EALDH1A1KMT2A
SCHEMBL29670209 0.77 ALDH1A1 (0.68) CDC7DBF4KDM4EALDH1A1KMT2A
SCHEMBL14582053 0.76 ALDH1A1 (0.60) KDM4EALDH1A1KMT2AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed
WO-2010065383-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-06-10 WO disclosed
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 EP disclosed
CN-1257886-C Dehydroamino acids compounds HOFFMANN LA ROCHE (CH) 2006-05-31 CN disclosed
CN-1398252-A dehydroamino acid compounds HOFFMANN LA ROCHE (CH) 2003-02-19 CN disclosed
US-6515124-B2 (Z)-2-((2-bromo-4-(((3-hydroxybenzyl)amino)carbonyl)benzoyl) -amino)pent-2-enoic acid, for example; useful for treating psoriasis HOFFMAN-LA ROCHE INC. 2003-02-04 US disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
EP-1261579-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20020161237-A1 Dehydroamino acids HOFFMANN-LA ROCHE INC. 2002-10-31 US disclosed
WO-2001058853-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 WO disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
EP-0912562-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-05-06 EP disclosed
WO-1998003505-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-29 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-20020161237-A1 Dehydroamino acids HSD3B1, CYP8B1, TH CDC7 3129/4885DBF4 4151/4885KDM4E 2779/4885

“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.