SCHEMBL5258403

SCHEMBL5258403

NSOOc1ccc(-n2nc(C(N)=O)c3c2-c2ccccc2CS3)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.44
PTGS2 P35354 5/20 0.44
F10 P00742 8/20 0.38
SCN9A Q15858 1/20 0.38
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CCNA1 P78396 3/20 0.36
ACHE P22303 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R5 Q8WYR1 1/20 0.33
PIK3R3 Q92569 1/20 0.33

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
SCHEMBL5258601 0.87 PTGS1 (0.41) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL14532774 0.84 PTGS1 (0.50) PTGS1PTGS2SCN9ACCNA2CDK2
SCHEMBL5371700 0.78 IKBKB (0.35) PTGS1PTGS2F10CCNA2CDK2
SCHEMBL5253419 0.71 CCNA2 (0.46) F10CCNA2CDK2CCNA1
SCHEMBL14532848 0.70 ALDH1A1 (0.53) PTGS1PTGS2
SCHEMBL5255911 0.68 CCNA2 (0.46) SCN9ACCNA2CDK2CCNA1PIK3CD
SCHEMBL5336498 0.67 IKBKB (0.53)
SCHEMBL3858859 0.67 CCNA2 (0.43) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL6646538 0.67 FLT3 (0.38) CCNA2CDK2CCNA1
SCHEMBL8474734 0.67 PTGS2 (0.71) PTGS1PTGS2CCNA2CDK2CCNA1

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-7211597-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2007-05-01 US claimed
US-20030114432-A1 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-06-19 US claimed
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-20030114432-A1 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-06-19 US 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-20030114432-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 PTGS1 18/4885PTGS2 22/4885F10 4101/4885

“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.