SCHEMBL5339586

SCHEMBL5339586

NC(=O)c1nn(-c2cc(F)c(F)c(F)c2)c2c1CCc1ccc([N+](=O)[O-])cc1-2

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 14/20 0.45
CCNA2 P20248 6/20 0.43
CDK2 P24941 6/20 0.43
CCNA1 P78396 6/20 0.43
CHUK O15111 1/20 0.40

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
SCHEMBL14532705 0.87 CCNA2 (0.53) IKBKBCCNA2CDK2CCNA1
SCHEMBL5335359 0.83 CCNA2 (0.58) IKBKBCCNA2CDK2CCNA1
SCHEMBL5342584 0.82 CCNA2 (0.59) IKBKBCCNA2CDK2CCNA1
SCHEMBL3858859 0.79 CCNA2 (0.43) IKBKBCCNA2CDK2CCNA1
SCHEMBL5339930 0.78 IKBKB (0.50) IKBKBCCNA2CDK2CCNA1CHUK
SCHEMBL5343517 0.76 PIK3CD (0.43) IKBKBCCNA2CDK2CCNA1
SCHEMBL6354573 0.74 ALDH1A1 (0.54) IKBKBCCNA2CDK2CCNA1
SCHEMBL5337111 0.73 CCNA2 (0.48) IKBKBCCNA2CDK2CCNA1
SCHEMBL5346277 0.72 IKBKB (0.62) IKBKBCCNA2CDK2CCNA1CHUK
SCHEMBL5343962 0.72 IKBKB (0.65) IKBKBCHUK

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 6 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
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

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 IKBKB 55/4885CCNA2 2589/4885CDK2 392/4885
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 IKBKB 55/4885CCNA2 2589/4885CDK2 392/4885

“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.