SCHEMBL2994928

SCHEMBL2994928

O=S(=O)(c1ccccc1)n1cc(I)c2c(OC3CCCCC3)ccnc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
CYP2C19 P33261 2/20 0.37
FFAR2 O15552 3/20 0.36
HTR6 P50406 5/20 0.35
MET P08581 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BCHE P06276 2/20 0.34
PDE4A P27815 2/20 0.33
TTK P33981 1/20 0.33
MAPK8 P45983 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.32
KAT6A Q92794 1/20 0.32
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL2997418 0.84 LMNA (0.42) CYP2C19FFAR2HTR6ALDH1A1BCHE
SCHEMBL1050209 0.81 BRD4 (0.43) BRD4CYP2C19HTR6METALDH1A1
SCHEMBL2990855 0.78 ALDH1A1 (0.36) FFAR2HTR6ALDH1A1BCHEMRGPRX1
SCHEMBL2990853 0.78 PTGDR (0.37) BRD4FFAR2HTR6ALDH1A1TTK
SCHEMBL2993714 0.78 BRD4 (0.41) BRD4CYP2C19HTR6METCYP3A4
SCHEMBL2992891 0.78 CYP2C19 (0.40) BRD4CYP2C19HTR6METALDH1A1
SCHEMBL1050296 0.74 CYP2C19 (0.45) BRD4CYP2C19HTR6METALDH1A1
SCHEMBL2600002 0.73 FFAR2 (0.43) BRD4CYP2C19FFAR2HTR6MET
SCHEMBL20659607 0.72 BRD4 (0.38) BRD4CYP2C19HTR6METALDH1A1
SCHEMBL20659533 0.71 BRD4 (0.35) BRD4CYP2C19MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125803-B1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2013-04-10 EP disclosed
US-20100184790-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-07-22 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-20100184790-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF BAD, PPOX, CASP3 BRD4 82/4885CYP2C19 2190/4885FFAR2 4071/4885

“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.