SCHEMBL5326432

SCHEMBL5326432

CCOC(=O)c1nn(-c2ccc(OOSN)cc2)c2c1CCc1ccc([N+](=O)[O-])cc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.47
CDK2 P24941 3/20 0.47
CCNA1 P78396 3/20 0.47
ADORA1 P30542 1/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
MITF O75030 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
ELANE P08246 3/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL3858859 0.88 CCNA2 (0.43) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL6346387 0.88 CCNA2 (0.50) CCNA2CDK2CCNA1ADORA1MAPT
SCHEMBL6354573 0.86 ALDH1A1 (0.54) CCNA2CDK2CCNA1ADORA1MAPT
SCHEMBL5337355 0.86 CCNA2 (0.49) CCNA2CDK2CCNA1ADORA1MAPT
SCHEMBL14532704 0.85 MEN1 (0.51) CCNA2CDK2CCNA1ADORA1MAPT
SCHEMBL5339557 0.84 CCNA2 (0.48) CCNA2CDK2CCNA1ADORA1MAPT
SCHEMBL6349517 0.80 KDM4E (0.49) CCNA2CDK2CCNA1MAPTHTT
SCHEMBL6352244 0.79 CA1 (0.53) CCNA2CDK2CCNA1ADORA1MAPT
SCHEMBL14558503 0.75 CA9 (0.42) CCNA2CDK2CCNA1ADORA1MAPT
SCHEMBL5253419 0.75 CCNA2 (0.46) CCNA2CDK2CCNA1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427706-B1 SUBSTITUTED PYRAZOLO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-05-30 EP disclosed
US-7211597-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2007-05-01 US disclosed
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation BERGMANIS ARIJA A 2005-11-17 US disclosed
US-6956052-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2005-10-18 US disclosed
EP-1501805-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2005-02-02 EP disclosed
US-6849653-B2 1H-benzo(g)indazole compounds as anticarcinogenic agents and also treat arthritis PHARMACIA CORPORATION (US) 2005-02-01 US disclosed
EP-1476431-A1 TRICYCLIC PYRAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-11-17 EP disclosed
EP-1444207-A2 SUBSTITUTED PYRAZOLYL-COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 EP disclosed
EP-1438293-A2 SUBSTITUTED PYRAZOLYL BENZENESULFAMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-07-21 EP disclosed
EP-1427706-A1 SUBSTITUTED PYRAZOLO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-06-16 EP disclosed
US-20040110741-A1 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORARTION 2004-06-10 US disclosed
WO-2003095430-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-11-20 WO disclosed
WO-2003070706-A1 TRICYCLIC PYRAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-08-28 WO disclosed
US-20030125361-A1 Substituted pyrazolyl benzenesulfamide compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-07-03 US disclosed
US-20030114432-A1 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-06-19 US disclosed
WO-2003027075-A2 SUBSTITUTED PYRAZOLYL BENZENESULFAMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-04-03 WO disclosed
WO-2003024936-A1 SUBSTITUTED PYRAZOLO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-03-27 WO disclosed
WO-2003024935-A2 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-03-27 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 (4 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-20030114432-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 CCNA2 2589/4885CDK2 392/4885CCNA1 2090/4885
US-20040110741-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 CCNA2 2589/4885CDK2 392/4885CCNA1 2090/4885
US-20030125361-A1 Substituted pyrazolyl benzenesulfamide compounds for the treatment of inflammation IRAK4, NLRP3, CXCL8 CCNA2 2104/4885CDK2 372/4885CCNA1 1547/4885
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 CCNA2 2589/4885CDK2 392/4885CCNA1 2090/4885

“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.