SCHEMBL2997418

SCHEMBL2997418

CC(=O)c1cn(S(=O)(=O)c2ccccc2)c2nccc(OC3CCCCC3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR6 P50406 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C19 P33261 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
KAT6A Q92794 1/20 0.34
FFAR2 O15552 1/20 0.34
BCHE P06276 1/20 0.34
PLK1 P53350 1/20 0.34
LRRK2 Q5S007 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4D Q08499 2/20 0.33
PTGDR Q13258 2/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
ATM Q13315 1/20 0.33
KMO O15229 1/20 0.33

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
SCHEMBL2994359 0.87 LMNA (0.41) LMNASMN1; SMN2HTR6KAT6AFFAR2
SCHEMBL2990855 0.86 ALDH1A1 (0.36) LMNASMN1; SMN2MEN1KMT2AHTR6
SCHEMBL2994928 0.84 BRD4 (0.39) HTR6ALDH1A1CYP2C19MRGPRX1KAT6A
SCHEMBL2999849 0.83 LMNA (0.49) LMNASMN1; SMN2MEN1KMT2AHTR6
SCHEMBL2993407 0.81 LMNA (0.47) LMNASMN1; SMN2MEN1KMT2AHTR6
SCHEMBL2986139 0.81 LMNA (0.47) LMNASMN1; SMN2MEN1KMT2AHTR6
SCHEMBL2990853 0.80 PTGDR (0.37) LMNASMN1; SMN2MEN1KMT2AHTR6
SCHEMBL2995312 0.80 SMN1; SMN2 (0.46) LMNASMN1; SMN2MEN1KMT2AHTR6
SCHEMBL2994911 0.80 LMNA (0.46) LMNASMN1; SMN2MEN1KMT2AHTR6
SCHEMBL2237471 0.77 LMNA (0.51) LMNASMN1; SMN2MEN1KMT2AHTR6

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 LMNA 4217/4885SMN1; SMN2 954/4885MEN1 3490/4885

“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.