SCHEMBL434618

SCHEMBL434618

c1ccc(Cc2ncc3nc[nH]c3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
TAAR1 Q96RJ0 3/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR3A P46098 1/20 0.44
HTR6 P50406 1/20 0.44
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL29543900 1.00 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DTAAR1
SCHEMBL6946789 0.86 HTR2C (0.47) TAAR1HRH3HTR2CGAAKDM4E
SCHEMBL6944731 0.84 HTR2C (0.47) HRH3HTR2CKMT2AL3MBTL1
SCHEMBL6946821 0.81 PARP1 (0.38) HTR2C
SCHEMBL4237792 0.81 MAPT (0.41) HRH3ALDH1A1L3MBTL1
SCHEMBL10442246 0.80 HTR2C (0.50) TAAR1HTR2CHTR6GAAKDM4E
SCHEMBL28320156 0.80 HTR2C (0.54) TAAR1HTR2CMEN1KMT2A
SCHEMBL5493566 0.79 HTR2C (0.35) HTR2CGAAKDM4EALDH1A1GLA
SCHEMBL29601297 0.79 CYP3A4 (0.44) GAAMEN1KMT2ANAMPT
SCHEMBL5440110 0.78 CYP1A2 (0.48) ALDH1A1HPGDHSD17B10IP6K1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 EP claimed
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2019-02-12 US claimed
US-20180162898-A1 4'-OR NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2018-06-14 US claimed
EP-1292603-B1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS IDENIX PHARMACEUTICALS LLC (US) 2017-02-22 EP claimed
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 US claimed
US-20160280729-A1 CYCLOPENTANE AND CYCLOPENTENE NUCLEOSIDE ANALOGS FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2016-09-29 US claimed
WO-2015077360-A2 CYCLOPENTANE AND CYCLOPENTENE NUCLEOSIDE ANALOGS FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2015-05-28 WO claimed
EP-2322518-B1 Method of manufacture of 1,3-dioxolane and 1,3-oxathiolane nucleosides GILEAD SCIENCES INC (US) 2015-02-25 EP claimed
US-20140121186-A1 Compounds, Compositions and Methods for Treating Ocular Conditions CHIMERIX, INC. (US) 2014-05-01 US claimed
US-20140113880-A1 MODIFIED 2' AND 3'-NUCLEOSIDE PRODRUGS FOR TREATING FLAVIVIRIDAE INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2014-04-24 US claimed
WO-2004046331-A2 2’-BRANCHED NUCLEOSIDES AND FLAVIVIRIDAE MUTATION IDENIX (CAYMAN) LIMITED (KY) 2004-06-03 WO claimed
US-20040087806-A1 Processes for preparing 1,3-dioxolane nucleosides PHARMASSET, INC. 2004-05-06 US claimed
WO-2004028445-A2 PROCESSES FOR PREPARING 1,3-DIOXOLANE NUCLEOSIDES PHARMASSET INC. (US) 2004-04-08 WO claimed
US-6518425-B1 A process for producing a 1,3-oxathiolane nucleoside comprising reacting a 5-halo-2-protected-oxymethyl-1,3-oxathiolane with a silylated purine or pyrimidine without the addition of a Lewis acid or an additional base to the reaction EMORY UNIVERSITY 2003-02-11 US claimed
US-20030013880-A1 Process for recovery of the desired cis-1,3-oxathiolane nucleosides from their undesired trans-isomers APOTEX PHARMACHEM INC (CA) 2003-01-16 US claimed
EP-0562009-A4 ENANTIOMERICALLY PURE -G(B)-D-(-)-DIOXOLANE-NUCLEOSIDES 1993-11-24 EP claimed
EP-0562009-A1 ENANTIOMERICALLY PURE $g(b)-D-(-)-DIOXOLANE-NUCLEOSIDES THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1993-09-29 EP claimed
WO-1992010497-A1 ENANTIOMERICALLY PURE β-D-(-)-DIOXOLANE-NUCLEOSIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-06-25 WO claimed
WO-1992010496-A1 ENANTIOMERICALLY PURE β-L-(-)-1,3-OXATHIOLANE NUCLEOSIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-06-25 WO claimed
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20140121186-A1 Compounds, Compositions and Methods for Treating Ocular Conditions EYA3, EYA2, PDE6C PDE4A 243/4885PDE4B 232/4885PDE4C 116/4885
US-20160280729-A1 CYCLOPENTANE AND CYCLOPENTENE NUCLEOSIDE ANALOGS FOR THE TREATMENT OF HCV ZC3HAV1, HAVCR2, NSUN2 PDE4A 1270/4885PDE4B 2128/4885PDE4C 2672/4885
US-20040087806-A1 Processes for preparing 1,3-dioxolane nucleosides NUDT1, PNP, DPYD PDE4A 406/4885PDE4B 349/4885PDE4C 420/4885
US-20030013880-A1 Process for recovery of the desired cis-1,3-oxathiolane nucleosides from their undesired trans-isomers SLC29A1, NUDT1, SLC28A1 PDE4A 883/4885PDE4B 1348/4885PDE4C 983/4885
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV RB1, NSUN2, METTL3 PDE4A 2185/4885PDE4B 2237/4885PDE4C 2664/4885
US-20140113880-A1 MODIFIED 2' AND 3'-NUCLEOSIDE PRODRUGS FOR TREATING FLAVIVIRIDAE INFECTIONS PNP, UGT1A3, SLC29A2 PDE4A 322/4885PDE4B 302/4885PDE4C 423/4885
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV RB1, NSUN2, METTL3 PDE4A 2130/4885PDE4B 2199/4885PDE4C 2614/4885
US-20180162898-A1 4'-OR NUCLEOSIDES FOR THE TREATMENT OF HCV NSUN2, NSUN3, ZC3HAV1 PDE4A 352/4885PDE4B 410/4885PDE4C 676/4885

“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.