SCHEMBL1749003

SCHEMBL1749003

CC(=O)N1C(=O)C2CN(Cc3ccccc3)CC2C1=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.50
S1PR1 P21453 1/20 0.50
FUCA1 P04066 2/20 0.49
CYP2D6 P10635 1/20 0.47
RORC P51449 2/20 0.46
BRD4 O60885 2/20 0.45
GRIN2B Q13224 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL1795199 0.81 FUCA1 (0.50) S1PR5S1PR1FUCA1RORCALDH1A1
SCHEMBL584067 0.79 ALDH1A1 (0.67) S1PR5S1PR1FUCA1RORCALDH1A1
SCHEMBL6096881 0.79 ALDH1A1 (0.67) S1PR5S1PR1FUCA1RORCALDH1A1
SCHEMBL1749014 0.76 SMN1; SMN2 (0.52) S1PR5S1PR1FUCA1RORCALDH1A1
SCHEMBL9042636 0.76 SMN1; SMN2 (0.52) S1PR5S1PR1FUCA1RORCALDH1A1
SCHEMBL24535980 0.76 FUCA1 (0.51) S1PR5S1PR1FUCA1RORCALDH1A1
SCHEMBL11031885 0.76 FUCA1 (0.51) S1PR5S1PR1FUCA1RORCALDH1A1
SCHEMBL12930916 0.76 S1PR5 (0.57) S1PR5S1PR1FUCA1CYP2D6RORC
SCHEMBL23182612 0.76 S1PR5 (0.66) S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL1505186 0.76 FUCA1 (0.51) S1PR5S1PR1FUCA1RORCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968566-B2 Pyrrolo(2,3-b) pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-06-28 US disclosed
US-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2009-09-17 US disclosed
US-7528147-B2 Pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2009-05-05 US disclosed
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
EP-1732546-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 EP disclosed
WO-2005095399-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-10-13 WO 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 (2 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-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K1 S1PR5 1583/4885S1PR1 1465/4885FUCA1 4854/4885
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors MAP3K19, MAP4K2, MAP3K1 S1PR5 1583/4885S1PR1 1465/4885FUCA1 4854/4885

“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.