SCHEMBL4432096

SCHEMBL4432096

CC(C)n1ncc2cc(C(=O)O)cnc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA2B P29275 1/20 0.55
ADORA1 P30542 1/20 0.55
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 1/20 0.45
MGAM O43451 1/20 0.41
HDAC8 Q9BY41 5/20 0.41
PSMD14 O00487 1/20 0.40
NAMPT P43490 1/20 0.40
RPS6KA2 Q15349 3/20 0.39
AURKA O14965 1/20 0.39
CDK1 P06493 1/20 0.39
AURKB Q96GD4 1/20 0.39
HPGD P15428 1/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
RPS6KA3 P51812 5/20 0.39

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
SCHEMBL16409134 0.88 ADORA3 (0.55) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL16391150 0.86 ADORA3 (0.54) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL26259234 0.86 ADORA3 (0.54) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL16407720 0.84 ADORA3 (0.52) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL15971157 0.84 ADORA3 (0.55) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL4044984 0.79 NAMPT (0.50) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL26715220 0.77 ADORA3 (0.60) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL26715050 0.77 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL3282399 0.75 MGAM (0.41) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL4133044 0.75 HCAR3 (0.56) KDM4EHDAC8HPGDHCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357099-A1 PYRAZOLO [3,4-B] PYRIDINE-4-CARBOXAMIDE NITRIFICATION INHIBITOR EUROCHEM ANTWERPEN (BE) 2023-11-09 US disclosed
EP-2958913-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG CHEMICAL LTD (KR) 2018-10-03 EP disclosed
US-9932340-B2 Substituted indoles ABBVIE INC. (US) 2018-04-03 US disclosed
US-20170349589-A9 Substituted Indoles ABBVIE INC. (US) 2017-12-07 US disclosed
US-20170174688-A1 Substituted Indoles ABBVIE INC. (US) 2017-06-22 US disclosed
US-9540362-B2 Sphingosine-1-phosphate receptor agonists, methods of preparing the same, and pharmaceutical compositions containing the same as an active agent LG LIFE SCIENCES LTD. (KR) 2017-01-10 US disclosed
US-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2015-12-31 US disclosed
EP-2958913-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG Life Sciences Ltd. (KR) 2015-12-30 EP disclosed
WO-2014129796-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2014-08-28 WO disclosed
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 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 (5 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-20230357099-A1 PYRAZOLO [3,4-B] PYRIDINE-4-CARBOXAMIDE NITRIFICATION INHIBITOR CBR1, CYC1, CBR3 ADORA3 1165/4885ADORA2A 2151/4885ADORA2B 721/4885
US-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT S1PR1, S1PR2, S1PR5 ADORA3 139/4885ADORA2A 85/4885ADORA2B 254/4885
US-20170174688-A1 Substituted Indoles SUV39H2, SUV39H1, IDO1 ADORA3 1275/4885ADORA2A 1471/4885ADORA2B 2310/4885
US-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 ADORA3 459/4885ADORA2A 2017/4885ADORA2B 1252/4885
US-20170349589-A9 Substituted Indoles SUV39H2, SUV39H1, IDO1 ADORA3 1275/4885ADORA2A 1471/4885ADORA2B 2310/4885

“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.