SCHEMBL2992010

SCHEMBL2992010

O=S(=O)(NCCO)c1ccc(Cl)nc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.64
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP2C19 P33261 3/20 0.57
ALDH1A1 P00352 6/20 0.56
PKM P14618 3/20 0.56
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NEK1 Q96PY6 1/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
EGFR P00533 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44

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
SCHEMBL2997310 0.81 GAA (0.62) GAAMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL23145996 0.81 ALDH1A1 (0.54) GAAMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL579287 0.81 GAA (0.61) GAAMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL7621847 0.80 ALDH1A1 (0.75) GAAMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL4061712 0.80 TSHR (0.68) GAAMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL6701189 0.79 MEN1 (0.62) GAAMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL8230173 0.79 GAA (0.58) GAAMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL30529012 0.76 MEN1 (0.55) GAAMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL20788433 0.76 MEN1 (0.55) GAAMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL3193135 0.76 SIGMAR1 (0.62) GAAMEN1KMT2AALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS NFKBIA, PACSIN2, MAP3K2 GAA 2061/4885MEN1 3704/4885KMT2A 1503/4885

“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.