SCHEMBL3858859

SCHEMBL3858859

NSOOc1ccc(-n2nc(C(N)=O)c3c2-c2cc([N+](=O)[O-])ccc2CC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.43
CDK2 P24941 10/20 0.43
CCNA1 P78396 10/20 0.43
IKBKB O14920 10/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R2 O00459 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PIK3R5 Q8WYR1 1/20 0.41
PIK3R3 Q92569 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
SCHEMBL5326432 0.88 CCNA2 (0.47) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL5253419 0.86 CCNA2 (0.46) CCNA2CDK2CCNA1IKBKB
SCHEMBL14532705 0.84 CCNA2 (0.53) CCNA2CDK2CCNA1IKBKBPIK3CD
SCHEMBL5335359 0.82 CCNA2 (0.58) CCNA2CDK2CCNA1IKBKB
SCHEMBL5336498 0.82 IKBKB (0.53) IKBKB
SCHEMBL5342584 0.81 CCNA2 (0.59) CCNA2CDK2CCNA1IKBKB
SCHEMBL14558116 0.81 IKBKB (0.48) CCNA2CDK2CCNA1IKBKBPIK3CD
SCHEMBL6658045 0.80 CCNA2 (0.46) CCNA2CDK2CCNA1IKBKB
SCHEMBL5339586 0.79 IKBKB (0.45) CCNA2CDK2CCNA1IKBKB
SCHEMBL5344937 0.79 IKBKB (0.47) CCNA2CDK2CCNA1IKBKB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009029808-A SUBSTITUTED PYRAZOLYL COMPOUND FOR TREATING INFLAMMATION PHARMACIA CORP 2009-02-12 JP disclosed
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-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-2003024935-A2 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-03-27 WO disclosed
WO-2003024936-A1 SUBSTITUTED PYRAZOLO 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.