SCHEMBL2990853

SCHEMBL2990853

CN(C)C(=O)C=Cc1cn(S(=O)(=O)c2ccccc2)c2nccc(OC3CCCCC3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.37
TRPM8 Q7Z2W7 5/20 0.34
TBK1 Q9UHD2 1/20 0.34
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
FFAR2 O15552 2/20 0.33
DGAT2 Q96PD7 1/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BRD4 O60885 1/20 0.32
HTR6 P50406 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 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
SCHEMBL2996616 0.82 APP (0.45) CA2CA9HTR6HDAC8
SCHEMBL2990855 0.81 ALDH1A1 (0.36) PTGDRFFAR2LMNAALDH1A1SMN1; SMN2
SCHEMBL2997418 0.80 LMNA (0.42) PTGDRFFAR2LMNAALDH1A1SMN1; SMN2
SCHEMBL2994928 0.78 BRD4 (0.39) FFAR2ALDH1A1BRD4HTR6KDM4E
SCHEMBL2992542 0.76 CA2 (0.34) CA2CA9LMNAALDH1A1MEN1
SCHEMBL2998005 0.73 CA9 (0.33) CA2CA9HTR6CCNCCDK8
SCHEMBL2994359 0.68 LMNA (0.41) FFAR2LMNASMN1; SMN2HTR6MAPK8
SCHEMBL2979261 0.68 CA2 (0.52) CA2CA9HTR6KDM4EHDAC3
SCHEMBL16932942 0.64 CA2 (0.40) PTGDRCA2CA9BRD4HTR6
SCHEMBL16932943 0.64 CA2 (0.40) PTGDRCA2CA9BRD4HTR6

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 PTGDR 1252/4885TRPM8 4618/4885TBK1 1854/4885

“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.