SCHEMBL2353891

SCHEMBL2353891

CCOc1cc[nH]c(=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.43
MAPK8 P45983 1/20 0.42
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ELANE P08246 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
NUDT1 P36639 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.36
MAT2A P31153 1/20 0.35
HTT P42858 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
TTBK1 Q5TCY1 1/20 0.35
TTBK2 Q6IQ55 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1128386 0.78
SCHEMBL8751985 0.77 ALDH1A1 (0.40) BTKMAPK8ADORA2AADORA1ELANE
SCHEMBL12889421 0.76 NUDT1 (0.41) BTKMAPK8ADORA2AADORA1SMN1; SMN2
SCHEMBL2879587 0.75 L3MBTL1 (0.51) ELANENUDT1HTTTTBK1TTBK2
SCHEMBL17979568 0.74 KCNA3 (0.42) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL2933088 0.74
SCHEMBL15111394 0.73 SMPD1 (0.41) ADORA1NPC1RAB9A
SCHEMBL2893270 0.73 MEN1 (0.40) LMNAMAPTHTTALDH1A1NPC1
SCHEMBL2940699 0.72 PDE3B (0.36) ADORA2AADORA1ELANELMNAMAPT
SCHEMBL8589835 0.71 DYRK1A (0.31) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008488-B2 Pyrimidin-2-one compounds and their use as dopamine D3 receptor ligands ABBOTT GMBH & CO. KG (DE) 2011-08-30 US disclosed
EP-2348029-A1 Preparation of alkyl-substituted 2-deoxy-2-fluoro-d-ribofuranosyl pyrimidines and purines and their derivatives Pharmasset, Inc. (US) 2011-07-27 EP disclosed
EP-1601659-B1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS ABBOTT GMBH & CO KG (DE) 2008-01-16 EP disclosed
US-20060235004-A1 Pyrimidin-2-one compounds and their use as dopamine d3 receptor ligands ABBOT GMBH & CO. KG (DE) 2006-10-19 US disclosed
EP-1601659-A1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Abbott GmbH & Co. KG (DE) 2005-12-07 EP disclosed
WO-2004080981-A1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2004-09-23 WO disclosed
US-20040063659-A1 Novel 2'-halomethylidene,2'-ethenylidene and 2'-ethynyl cytidine, uridine and guanosine derivatives MERRELL PHARMACEUTICALS INC. 2004-04-01 US disclosed
US-20030109484-A1 Novel 2'-halomethylidene, 2'-ethenylidene and 2'ethynyl cytidine, uridine and guanosine derivatives MCCARTHY JAMES R (US) 2003-06-12 US disclosed
US-6017923-A Carbo-acyclic nucleoside derivatives as antiviral and antineoplastic agents HOECHST MARION ROUSSEL, INC. (US) 2000-01-25 US disclosed
US-5977325-A NUCLEOSIDE DERIVATIVES USEFUL AS ANTICARCINOGENIC/ANTITUMOR AGENTS AND VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1999-11-02 US disclosed
EP-0705264-B1 CARBO-ACYCLIC NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AND ANTINEOPLASTIC AGENTS MERRELL PHARMA INC (US) 1999-04-07 EP disclosed
US-5792841-A ANTIVIRAL, ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1998-08-11 US disclosed
US-5616702-A ANTITUMOR AGENTS, VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1997-04-01 US disclosed
US-5607925-A Treatment of carcinoma by administration of 2'-halomethylidenyl-2'-deoxynucleosides MERRELL PHARMACEUTICALS INC. (US) 1997-03-04 US disclosed
EP-0705264-A1 CARBO-ACYCLIC NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AND ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 EP disclosed
WO-1995000515-A1 CARBO-ACYCLIC NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AND ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 WO disclosed
US-5378693-A Antitumor agents or viricides MERRELL DOW PHARMACEUTICALS INC. (US) 1995-01-03 US disclosed
EP-0372268-B1 Novel 2'-halomethylidene, 2'-ethenylidene and 2'-ethynyl cytidine, uridine and guanosine derivatives MERRELL DOW PHARMA (US) 1994-05-04 EP disclosed
EP-0372268-A1 Novel 2'-halomethylidene, 2'-ethenylidene and 2'-ethynyl cytidine, uridine and guanosine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-13 EP disclosed
US-3947444-A Process for producing N1 -(Dihydroxyalkyl)-5-substituted uracils GILLER SOLOMON ARONOVICH 1976-03-30 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 (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-20040063659-A1 Novel 2'-halomethylidene,2'-ethenylidene and 2'-ethynyl cytidine, uridine and guanosine derivatives UMPS, NUDT14, NUDT1 BTK 4298/4885MAPK8 3988/4885ADORA2A 130/4885
US-20030109484-A1 Novel 2'-halomethylidene, 2'-ethenylidene and 2'ethynyl cytidine, uridine and guanosine derivatives UMPS, NUDT1, NUDT14 BTK 4346/4885MAPK8 4102/4885ADORA2A 135/4885
US-20060235004-A1 Pyrimidin-2-one compounds and their use as dopamine d3 receptor ligands ADRB3, DRD3, OPRL1 BTK 1393/4885MAPK8 1602/4885ADORA2A 150/4885

“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.