SCHEMBL4515733

SCHEMBL4515733

O=C1CC(=O)C(CCCOCc2ccccc2)CN1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.48
LMNA P02545 2/20 0.45
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
EPHX2 P34913 1/20 0.39
MAOB P27338 1/20 0.38
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TEAD3 Q99594 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
NAAA Q02083 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
REN P00797 1/20 0.34

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
SCHEMBL4517238 0.92 CDC7 (0.47) CDC7LMNAHRH4HRH3EPHX2
SCHEMBL29582932 0.90 CDC7 (0.45) CDC7LMNAHRH4HRH3EPHX2
SCHEMBL4036780 0.78 HDAC6 (0.51) CDC7LMNAHRH4HRH3EPHX2
SCHEMBL4766053 0.75 DDB1 (0.49) MAOBALDH1A1
SCHEMBL17144670 0.75 LMNA (0.43) CDC7LMNAHRH4HRH3EPHX2
SCHEMBL29701785 0.74 LMNA (0.52) LMNAHRH4HRH3MAOBTDP1
SCHEMBL6979320 0.74 KDM4E (0.51) CDC7LMNAEPHX2TSHRALDH1A1
SCHEMBL6969080 0.74 LMNA (0.42) CDC7LMNAHRH4HRH3HTT
SCHEMBL1672146 0.72 LMNA (0.46) CDC7LMNAHRH4HRH3MAOB
SCHEMBL15511615 0.70 DRD2 (0.40) TEAD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963319-B1 HETEROARYLPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-04-11 EP disclosed
US-7618982-B2 Heteroarylpyrrolopyridinones active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-17 US disclosed
EP-1963319-A1 HETEROARYLPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2008-09-03 EP disclosed
WO-2007071621-A1 HETEROARYLPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-28 WO disclosed
US-20070142415-A1 Heteroarylpyrrolopyridinones active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2007-06-21 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-20070142415-A1 Heteroarylpyrrolopyridinones active as kinase inhibitors MAP3K1, MAP3K19, MAP3K3 CDC7 359/4885LMNA 3609/4885HRH4 1228/4885

“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.