SCHEMBL2993785

SCHEMBL2993785

Cc1ccc(S(=O)(=O)n2c(C3=CN(C(=O)OC(C)(C)C)CCC3)cc3c(Br)ccnc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
KIT P10721 1/20 0.34
BTK Q06187 1/20 0.33
MMP13 P45452 2/20 0.33
POLB P06746 1/20 0.33
CHRNA7 P36544 1/20 0.32
HTR6 P50406 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
COMT P21964 1/20 0.32
HSD11B1 P28845 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31

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
SCHEMBL3639353 0.87 PTGDR2 (0.35) PTGDR2KMT2AGPR119KDM4EALDH1A1
SCHEMBL16036262 0.85 KIT (0.46) KITHTR6GPR119
SCHEMBL2987768 0.84 PTGDR2 (0.32) PTGDR2KITBTK
SCHEMBL13981341 0.81 PTGDR2 (0.30) PTGDR2
SCHEMBL16052728 0.79 HSD11B1 (0.38) PTGDR2MMP13POLBHTR6HSD11B1
SCHEMBL4318186 0.78 HTR6 (0.53) HTR6GPR119
SCHEMBL16035864 0.75 KIT (0.46) KITHTR6GPR119
SCHEMBL16042208 0.73 CCNT1 (0.43) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL17535108 0.73 KIT (0.39) PTGDR2KITMMP13HTR6MEN1
SCHEMBL16036765 0.73 DGAT2 (0.39) PTGDR2KITMMP13HTR6MEN1

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 PTGDR2 565/4885KIT 1292/4885BTK 387/4885

“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.