SCHEMBL2998009

SCHEMBL2998009

CCCC#Cc1ccnc2c1c(C(=O)C=CN(C)C)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
TNFSF11 O14788 1/20 0.33
TNF P01375 3/20 0.33
RECQL P46063 1/20 0.32
HTR6 P50406 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PLK1 P53350 1/20 0.31
MEN1 O00255 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL2992544 0.88 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTGAATNFSF11
SCHEMBL2986196 0.85 LMNA (0.43) SMN1; SMN2GAATNFSF11TNFHTR6
SCHEMBL2998005 0.81 CA9 (0.33) TNFSF11HTR6CYP2C19PTGDR2
SCHEMBL2240681 0.81 MAPT (0.42) SMN1; SMN2ALDH1A1MAPTGAATNFSF11
SCHEMBL2240673 0.81 MAPT (0.42) SMN1; SMN2ALDH1A1MAPTGAATNFSF11
SCHEMBL2996618 0.78 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTGAATNF
SCHEMBL2244181 0.77 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MAPTGAATNFSF11
SCHEMBL2244188 0.77 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MAPTGAATNFSF11
SCHEMBL2303447 0.75 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTGAAHTR6
SCHEMBL2303453 0.75 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTGAAHTR6

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 SMN1; SMN2 954/4885ALDH1A1 1472/4885MAPT 2638/4885

“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.