SCHEMBL6340632

SCHEMBL6340632

CCOC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(N)cc1-2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TP53 P04637 1/20 0.58
HPGD P15428 1/20 0.58
CCNA2 P20248 4/20 0.52
CDK2 P24941 4/20 0.52
CCNA1 P78396 4/20 0.52
NPSR1 Q6W5P4 1/20 0.49
IKBKB O14920 8/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
APP P05067 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
CHRNA7 P36544 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL14532706 0.90 ALDH1A1 (0.54) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL5254020 0.88 CCNA2 (0.50) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL14558176 0.88 CCNA2 (0.50) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL14532845 0.86 ALDH1A1 (0.62) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL6346387 0.85 CCNA2 (0.50) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL5257068 0.85 ALDH1A1 (0.52) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL6354573 0.85 ALDH1A1 (0.54) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL5346277 0.84 IKBKB (0.62) CCNA2CDK2CCNA1IKBKB
SCHEMBL12046624 0.84 ALDH1A1 (0.58) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL6345072 0.84 ALDH1A1 (0.52) ALDH1A1KDM4ETP53HPGDCCNA2

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 5 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-6849653-B2 1H-benzo(g)indazole compounds as anticarcinogenic agents and also treat arthritis PHARMACIA CORPORATION (US) 2005-02-01 US disclosed
EP-1438293-A2 SUBSTITUTED PYRAZOLYL BENZENESULFAMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-07-21 EP disclosed
US-20030125361-A1 Substituted pyrazolyl benzenesulfamide compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-07-03 US disclosed
WO-2003027075-A2 SUBSTITUTED PYRAZOLYL BENZENESULFAMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-04-03 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 (1 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-20030125361-A1 Substituted pyrazolyl benzenesulfamide compounds for the treatment of inflammation IRAK4, NLRP3, CXCL8 ALDH1A1 1056/4885KDM4E 1794/4885TP53 19/4885

“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.