SCHEMBL2984140

SCHEMBL2984140

C=C(C)C(=O)C(N)c1cn(S(=O)(=O)c2ccccc2)c2nccc(OCCC)c12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
HTR6 P50406 7/20 0.33
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.31
BRD4 O60885 1/20 0.31
DRD2 P14416 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KAT6A Q92794 1/20 0.31
BCHE P06276 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
PLA2G2A P14555 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
SCHEMBL3001635 0.94 PTGDR2 (0.34) IKBKBPTGDR2HTR6CYP2C19KMT2A
SCHEMBL14837115 0.89 HTR6 (0.35) PTGDR2HTR6CYP2C19KMT2ABRD4
SCHEMBL2989539 0.83 ENPP3 (0.36) PTGDR2HTR6CYP2C19BRD4LMNA
SCHEMBL2994911 0.80 LMNA (0.46) IKBKBPTGDR2HTR6CYP2C19KMT2A
SCHEMBL2986139 0.74 LMNA (0.47) PTGDR2HTR6CYP2C19KMT2ALMNA
SCHEMBL2995312 0.70 SMN1; SMN2 (0.46) PTGDR2HTR6CYP2C19KMT2ABRD4
SCHEMBL2988219 0.69 CDK5 (0.45) IKBKB
SCHEMBL25422548 0.68 L3MBTL1 (0.41) IKBKBPTGDR2KMT2ABRD4LMNA
SCHEMBL2993407 0.68 LMNA (0.47) PTGDR2HTR6CYP2C19KMT2ADRD2
SCHEMBL30461622 0.68 L3MBTL1 (0.41) IKBKBPTGDR2KMT2ABRD4LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 IKBKB 1393/4885PTGDR2 814/4885HTR6 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.