SCHEMBL4137201

SCHEMBL4137201

CCOc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 6/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 5/20 0.52
TSHR P16473 3/20 0.52
HSD17B10 Q99714 3/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
ALOX15 P16050 2/20 0.52
NPC1 O15118 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GPR119 Q8TDV5 8/20 0.51
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
ACACB O00763 1/20 0.45

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
SCHEMBL8221361 0.89 GPR119 (0.50) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL8226185 0.89 L3MBTL1 (0.55) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL21659671 0.87 GPR119 (0.53) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL8363976 0.86 ALDH1A1 (0.53) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL20521646 0.86 GPR119 (0.49) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL8256416 0.86 ALDH1A1 (0.52) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL20521416 0.85 GPR119 (0.52) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL8257657 0.85 GPR119 (0.47) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL30221909 0.85 GPR119 (0.52) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL8221363 0.85 GPR119 (0.53) MAPTKMT2AALDH1A1TSHRHSD17B10

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 12 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-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
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
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 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
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 L3MBTL1 4696/4885MAPT 2976/4885MEN1 4225/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ L3MBTL1 4696/4885MAPT 2976/4885MEN1 4225/4885

“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.