SCHEMBL2998005

SCHEMBL2998005

CCCC#Cc1ccnc2c1c(C=CC(=O)N(C)C)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.33
CA2 P00918 4/20 0.33
HTR6 P50406 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CYP2C19 P33261 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
TNFSF11 O14788 1/20 0.30

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
SCHEMBL2992542 0.88 CA2 (0.34) CA9CA2HTR6HDAC3HDAC4
SCHEMBL2998009 0.81 SMN1; SMN2 (0.36) HTR6CYP2C19PTGDR2TNFSF11
SCHEMBL2986196 0.80 LMNA (0.43) HTR6CYP2C19PTGDR2TNFSF11
SCHEMBL2996616 0.78 APP (0.45) CA9CA2HTR6HDAC8
SCHEMBL2990853 0.73 PTGDR (0.37) CA9CA2HTR6HDAC3HDAC4
SCHEMBL2979261 0.68 CA2 (0.52) CA9CA2HTR6HDAC3HDAC4
SCHEMBL2992544 0.68 SMN1; SMN2 (0.39) HTR6HDAC1HDAC2HDAC6CYP2C19
SCHEMBL2998178 0.66 LMNA (0.46) HTR6CYP2C19PTGDR2TNFSF11
SCHEMBL27815784 0.62 CYP2C19 (0.42) CA9CA2HTR6CCNCCDK8
SCHEMBL2240673 0.62 MAPT (0.42) HTR6CYP2C19PTGDR2TNFSF11

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 CA9 4027/4885CA2 3092/4885HTR6 1772/4885

“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.