SCHEMBL2217606

SCHEMBL2217606

COCCn1c(COCc2ccccc2)c2c(=O)[nH][nH]c2c(-c2ccccc2Cl)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.37
CYP1A2 P05177 8/20 0.36
CYP3A4 P08684 8/20 0.36
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 5/20 0.36
CASP1 P29466 4/20 0.36
CASP7 P55210 4/20 0.36
LMNA P02545 3/20 0.36
USP2 O75604 3/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
CHEK1 O14757 1/20 0.35
WEE1 P30291 1/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2C9 P11712 2/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL2216088 0.70 NOX4 (0.65) CYP3A4CYP2C19CYP2C9NOX4
SCHEMBL2217610 0.70 NOX4 (0.48) CYP3A4ALDH1A1CYP2C19CYP2C9NOX4
SCHEMBL14936168 0.58 MPO (0.49) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL10900030 0.58 KMT2A (0.41) CYP1A2ALDH1A1HSD17B10MAPK1KMT2A
SCHEMBL155729 0.56 TSHR (0.61) ALDH1A1TSHRTDP1SMN1; SMN2
Anthraquinone SCHEMBL8469578 0.56 TSHR (0.68) ALDH1A1LMNATSHRMAPK1KMT2A
Methoxymethane SCHEMBL27428029 0.56 TSHR (0.83) ALDH1A1TSHRMAPK1KMT2ATDP1
SCHEMBL28301231 0.56 TSHR (0.83) ALDH1A1TSHRMAPK1KMT2ATDP1
SCHEMBL10709681 0.55 TSHR (0.58) ALDH1A1LMNATSHRTDP1SMN1; SMN2
SCHEMBL5350601 0.55 TSHR (0.58) ALDH1A1LMNATSHRTDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADORA2B 1443/4885CYP1A2 63/4885CYP3A4 157/4885

“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.