SCHEMBL2218592

SCHEMBL2218592

COc1ccc(CC(=O)c2c(C(C)C(=O)O)nn(-c3ccccc3Cl)c2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
KLK7 P49862 4/20 0.39
KMT2A Q03164 3/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE5A O76074 3/20 0.38
PDE1B Q01064 3/20 0.38
PDE4D Q08499 3/20 0.38
PDE9A O76083 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE7A Q13946 1/20 0.38

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
SCHEMBL2215939 0.83 USP2 (0.46) USP2TP53CACNA1GCACNA1HCACNA1I
SCHEMBL2355743 0.80 USP2 (0.42) USP2TP53CACNA1GCACNA1HCACNA1I
SCHEMBL3434512 0.74 USP2 (0.45) USP2TP53KMT2AALDH1A1MEN1
SCHEMBL1847760 0.66 USP2 (0.70) USP2TP53KMT2AALDH1A1MEN1
SCHEMBL2215912 0.64 PDE4B (0.39) TP53KMT2APDE4BALDH1A1MEN1
SCHEMBL2355747 0.63 USP2 (0.43) USP2TP53KMT2AALDH1A1MEN1
SCHEMBL571063 0.63 USP2 (0.69) USP2TP53KMT2AALDH1A1POLB
SCHEMBL3434515 0.63 USP2 (0.44) USP2TP53KMT2AALDH1A1MEN1
SCHEMBL4748426 0.62 USP2 (0.62) USP2TP53KMT2AALDH1A1MEN1
SCHEMBL7798234 0.62 SMN1; SMN2 (0.57) USP2TP53ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455485-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2013-06-04 US disclosed
EP-2349261-A2 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2011-08-03 EP disclosed
US-20110178081-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-07-21 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-20110178081-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB USP2 4017/4885TP53 3297/4885CACNA1G 2419/4885

“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.