SCHEMBL1749014

SCHEMBL1749014

O=C1C2CN(Cc3ccccc3)CC2C(=O)N1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
FUCA1 P04066 2/20 0.49
RORC P51449 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD4 P21917 1/20 0.46
ACHE P22303 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL9042636 1.00 SMN1; SMN2 (0.52) SMN1; SMN2FUCA1RORCALDH1A1MAPT
Hydrochloric Acid SCHEMBL1749238 0.98 SMN1; SMN2 (0.51) SMN1; SMN2FUCA1RORCALDH1A1MAPT
SCHEMBL6766331 0.88 DPP4 (0.48) SMN1; SMN2FUCA1RORCALDH1A1MAPT
SCHEMBL23701396 0.86 KMT2A (0.55) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL584067 0.83 ALDH1A1 (0.67) SMN1; SMN2FUCA1RORCALDH1A1S1PR1
SCHEMBL6096881 0.83 ALDH1A1 (0.67) SMN1; SMN2FUCA1RORCALDH1A1S1PR1
SCHEMBL13835453 0.83 LIPE (0.55) DRD4ACHEDRD2DRD3
SCHEMBL13975855 0.83 LIPE (0.55) DRD4ACHEDRD2DRD3
SCHEMBL23701486 0.83 DRD4 (0.44) SMN1; SMN2RORCALDH1A1MAPTNPSR1
SCHEMBL13966328 0.83 LIPE (0.55) DRD4ACHEDRD2DRD3

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 4 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

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 SMN1; SMN2 4256/4885FUCA1 4854/4885RORC 1604/4885
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 SMN1; SMN2 4256/4885FUCA1 4854/4885RORC 1604/4885

“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.