SCHEMBL5337355

SCHEMBL5337355

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.49
CDK2 P24941 3/20 0.49
CCNA1 P78396 3/20 0.49
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADORA1 P30542 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
CA9 Q16790 2/20 0.43
MITF O75030 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
ELANE P08246 4/20 0.42
PDE4B Q07343 2/20 0.41
PDE4D Q08499 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL6354573 0.91 ALDH1A1 (0.54) CCNA2CDK2CCNA1MAPTHTT
SCHEMBL14532704 0.91 MEN1 (0.51) CCNA2CDK2CCNA1MAPTHTT
SCHEMBL5339557 0.89 CCNA2 (0.48) CCNA2CDK2CCNA1MAPTHTT
SCHEMBL5343517 0.86 PIK3CD (0.43) CCNA2CDK2CCNA1MAPTALDH1A1
SCHEMBL5326432 0.86 CCNA2 (0.47) CCNA2CDK2CCNA1MAPTHTT
SCHEMBL6349517 0.85 KDM4E (0.49) CCNA2CDK2CCNA1MAPTHTT
SCHEMBL6352244 0.82 CA1 (0.53) CCNA2CDK2CCNA1MAPTADORA1
SCHEMBL30759561 0.80 CCNA2 (0.48) CCNA2CDK2CCNA1L3MBTL1ALDH1A1
SCHEMBL27123228 0.80 CCNA2 (0.48) CCNA2CDK2CCNA1L3MBTL1ALDH1A1
SCHEMBL14558503 0.79 CA9 (0.42) CCNA2CDK2CCNA1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1444207-A2 SUBSTITUTED PYRAZOLYL-COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 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-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 (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-20040110741-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 CCNA2 2589/4885CDK2 392/4885CCNA1 2090/4885
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.