SCHEMBL2992544

SCHEMBL2992544

CN(C)C=CC(=O)c1cn(S(=O)(=O)c2ccccc2)c2nccc(C#Cc3ccccc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.39
RECQL P46063 1/20 0.34
LMNA P02545 3/20 0.34
TNFSF11 O14788 1/20 0.33
TNF P01375 2/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
PLK1 P53350 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR6 P50406 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HTT P42858 2/20 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
SCHEMBL2998009 0.88 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1MAPTGAARECQL
SCHEMBL2998178 0.84 LMNA (0.46) SMN1; SMN2LMNATNFSF11TNFCYP2C19
SCHEMBL2240673 0.84 MAPT (0.42) SMN1; SMN2ALDH1A1MAPTGAARECQL
SCHEMBL2240681 0.84 MAPT (0.42) SMN1; SMN2ALDH1A1MAPTGAARECQL
SCHEMBL2992542 0.80 CA2 (0.34) ALDH1A1MAPTLMNACYP2C19MEN1
SCHEMBL2996618 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTGAARECQL
SCHEMBL2303447 0.78 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTGAARAB9A
SCHEMBL2303453 0.78 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTGAARAB9A
SCHEMBL2244181 0.78 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MAPTGAARECQL
SCHEMBL2244188 0.78 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MAPTGAARECQL

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.