SCHEMBL4137108

SCHEMBL4137108

O=[N+]([O-])c1ccc(N2CC[N]CC2)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.63
GAA P10253 3/20 0.63
ALDH1A1 P00352 12/20 0.62
LMNA P02545 7/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
HPGD P15428 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
MAPK1 P28482 2/20 0.58
HSD17B10 Q99714 1/20 0.51
HTT P42858 2/20 0.51
RECQL P46063 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL6815260 0.85 GAA (0.69) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL6811691 0.84 GAA (0.71) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL1366449 0.83 KMT2A (0.55) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL4150975 0.83 ALDH1A1 (0.69) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL28021548 0.83 ALDH1A1 (0.63) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL2103553 0.81 ALDH1A1 (0.68) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL899512 0.81 ALDH1A1 (0.65) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL29793662 0.81 ALDH1A1 (0.65) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL2461666 0.81 ALDH1A1 (0.66) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL29937693 0.81 ALDH1A1 (0.68) MAPTGAAALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 EP disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ MAPT 2976/4885GAA 344/4885ALDH1A1 2931/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ MAPT 2976/4885GAA 344/4885ALDH1A1 2931/4885

“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.