SCHEMBL2153195

SCHEMBL2153195

CCOC(=O)Cn1cnc2c(N)nc(C(=O)OCc3ccccc3)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
ADORA2A P29274 4/20 0.42
ADORA1 P30542 4/20 0.42
TMIGD3 P0DMS9 3/20 0.42
ADORA2B P29275 2/20 0.41
MAPK1 P28482 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 3/20 0.40
EGFR P00533 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40

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
SCHEMBL7205594 0.92 EGFR (0.48) TSHRHTTALDH1A1RAB9ANPC1
SCHEMBL2152998 0.89 EGFR (0.44) HTTALDH1A1KDM4EGAAADORA2A
SCHEMBL6833359 0.87 PDE4A (0.47) TSHRHTTALDH1A1RAB9AKDM4E
SCHEMBL454627 0.85 EGFR (0.47) TSHRALDH1A1RAB9ANPC1KDM4E
SCHEMBL19847491 0.82 MAPT (0.45) HTTALDH1A1KDM4EGAAADORA2A
SCHEMBL19847501 0.80 MAPT (0.44) HTTALDH1A1KDM4EGAAADORA2A
SCHEMBL3301303 0.80 MGMT (0.49) TSHRHTTALDH1A1RAB9ANPC1
SCHEMBL21896378 0.79 CDK1 (0.48) HTTALDH1A1NPC1KDM4EGAA
SCHEMBL19978373 0.79 ALDH1A1 (0.43) TSHRHTTALDH1A1RAB9ANPC1
SCHEMBL431825 0.78 CDK1 (0.61) TSHRRAB9ANPC1KDM4EGAA

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115136-A1 PNA DIAGNOSTIC USE PNA Patent Owners (a/k/a CIG) (US) 2012-05-10 US disclosed
EP-1074559-B1 Peptide nucleic acids BUCHARDT OLE (DK) 2011-07-06 EP disclosed
US-7378485-B2 Peptide nucleic acids with polyamide-containing backbones BUCHARDT OLE 2008-05-27 US disclosed
US-20060160731-A1 Peptide nucleic acids BUCHARDT OLE 2006-07-20 US disclosed
EP-1411063-B1 Peptide nucleic acids BUCHARDT OLE (DK) 2006-07-19 EP disclosed
EP-0960121-B1 PEPTIDE NUCLEIC ACIDS HAVING ENHANCED BINDING AFFINITY, SEQUENCE SPECIFICITY AND SOLUBILITY BUCHARDT DORTE (DK) 2005-11-30 EP disclosed
EP-1411063-A1 Peptide nucleic acids BUCHARDT, Ole (DK) 2004-04-21 EP disclosed
US-20040059087-A1 Peptide nucleic acids BUCHARDT OLE (DK) 2004-03-25 US disclosed
US-6710164-B1 COMPRISING AT LEAST ONE C1-C8 ALKYLAMINE SIDE CHAIN NIELSEN PETER E (DK) 2004-03-23 US disclosed
US-6686442-B2 PEPTIDE NUCLEIC ACID FOR USE IN VETERINARY MEDICINE Neilsen, Peter E. (DK) 2004-02-03 US disclosed
EP-1162206-A2 Peptide nucleic acids BUCHARDT, Ole (DK) 2001-12-12 EP disclosed
EP-0586474-B1 PEPTIDE NUCLEIC ACIDS BUCHARDT OLE (DK) 2001-09-12 EP disclosed
EP-1074559-A1 Peptide nucleic acids BUCHARDT, Ole (DK) 2001-02-07 EP disclosed
EP-1003480-A1 CONJUGATED PEPTIDE NUCLEIC ACIDS HAVING ENHANCED CELLULAR UPTAKE NIELSEN, Peter Eigil (DK) 2000-05-31 EP disclosed
EP-0960121-A1 PEPTIDE NUCLEIC ACIDS HAVING ENHANCED BINDING AFFINITY, SEQUENCE SPECIFICITY AND SOLUBILITY BUCHARDT, Dorte (DK) 1999-12-01 EP disclosed
WO-1998053801-A1 CONJUGATED PEPTIDE NUCLEIC ACIDS HAVING ENHANCED CELLULAR UPTAKE ISIS PHARMACEUTICALS, INC. (US) 1998-12-03 WO disclosed
WO-1998003542-A1 PEPTIDE NUCLEIC ACIDS HAVING ENHANCED BINDING AFFINITY, SEQUENCE SPECIFICITY AND SOLUBILITY BUCHARDT, DORTE (DK) 1998-01-29 WO disclosed
EP-0586618-B1 THE USE OF NUCLEIC ACID ANALOGUES IN DIAGNOSTICS AND ANALYTICAL PROCEDURES BUCHARDT DORTE (DK) 1997-07-16 EP disclosed
WO-1992020703-A1 THE USE OF NUCLEIC ACID ANALOGUES IN DIAGNOSTICS AND ANALYTICAL PROCEDURES BUCHARDT OLE (DK) 1992-11-26 WO disclosed
WO-1992020702-A1 PEPTIDE NUCLEIC ACIDS BUCHARDT OLE (DK) 1992-11-26 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 (3 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-20120115136-A1 PNA DIAGNOSTIC USE RNASE1, NCL, PABPC4 TSHR 2257/4885HTT 2104/4885ALDH1A1 2720/4885
US-20060160731-A1 Peptide nucleic acids RNGTT, POLM, POLRMT TSHR 1360/4885HTT 719/4885ALDH1A1 4683/4885
US-20040059087-A1 Peptide nucleic acids RNGTT, POLM, POLRMT TSHR 1360/4885HTT 719/4885ALDH1A1 4683/4885

“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.