SCHEMBL2116144

SCHEMBL2116144

CC(C)CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.74
NADK O95544 1/20 0.74
DOT1L Q8TEK3 5/20 0.74
DNMT3B Q9UBC3 3/20 0.74
PNMT P11086 2/20 0.74
DNMT1 P26358 2/20 0.74
PRMT7 Q9NVM4 2/20 0.71
SMN1; SMN2 Q16637 1/20 0.70
CARM1 Q86X55 2/20 0.68
EHMT2 Q96KQ7 2/20 0.68
TRDMT1 O14717 1/20 0.68
PRMT5 O14744 1/20 0.68
SUV39H1 O43463 1/20 0.68
PRMT3 O60678 1/20 0.68
INMT O95050 1/20 0.68
NSD2 O96028 1/20 0.68
NNMT P40261 1/20 0.68
HNMT P50135 1/20 0.68
WDR5 P61964 1/20 0.68
KMT2A Q03164 1/20 0.68

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
SCHEMBL2116141 1.00 AHCY (0.74) AHCYNADKDOT1LDNMT3BPNMT
SCHEMBL29382766 1.00 AHCY (0.74) AHCYNADKDOT1LDNMT3BPNMT
SCHEMBL2115821 0.88 AHCY (0.79) AHCYNADKDOT1LDNMT3BPNMT
SCHEMBL998091 0.88 AHCY (0.79) AHCYNADKDOT1LDNMT3BPNMT
SCHEMBL6935387 0.87 AHCY (0.78) AHCYNADKDOT1LDNMT3BPNMT
SCHEMBL21243035 0.87 DOT1L (0.84) AHCYNADKDOT1LDNMT3BPNMT
SCHEMBL19433069 0.87 DOT1L (0.82) AHCYNADKDOT1LDNMT3BPNMT
SCHEMBL95173 0.87 DOT1L (0.82) AHCYNADKDOT1LDNMT3BPNMT
SCHEMBL18661551 0.87 DOT1L (0.82) AHCYNADKDOT1LDNMT3BPNMT
SCHEMBL27092961 0.87 DOT1L (0.82) AHCYNADKDOT1LDNMT3BPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526866-A1 The use of adenosine compounds for the preparation in the treatment of ischaemia BIORESEARCH S.p.A. (IT) 1993-02-10 EP claimed
JP-5208993-A None JP disclosed
US-20200087630-A1 INFLUENZA VIRUS AND TYPE 1 DIABETES OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-03-19 US disclosed
US-20180273912-A1 INFLUENZA VIRUS AND TYPE 1 DIABETES OSPEDALE SAN RAFFAELE S.R.L. (IT) 2018-09-27 US disclosed
US-20150299667-A1 INFLUENZA VIRUS AND TYPE 1 DIABETES OSPEDALE SAN RAFFAELE S.R.L. (IT) 2015-10-22 US disclosed
EP-2906231-A2 INFLUENZA VIRUS AND TYPE 1 DIABETES Ospedale San Raffaele S.r.l. (IT) 2015-08-19 EP disclosed
US-20150119351-A1 THERAPY OF TUMORS AND INFECTIOUS AGENTS DEFICIENT IN METHYLTHIOADENOSINE PHOSPHORYLASE LUBIN ADAM (US) 2015-04-30 US disclosed
US-8796241-B2 Therapy of tumors and infectious agents deficient in methylthioadenosine phosphorylase LUBIN ADAM (US) 2014-08-05 US disclosed
US-20120094947-A1 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2012-04-19 US disclosed
US-20100047273-A1 Coxsackie B virus and type 1 diabetes RAPPUOLI RINO 2010-02-25 US disclosed
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells AGOURON PHARMACEUTICALS INC. 2004-03-04 US disclosed
JP-H05208993-A PHARMACEUTICAL COMPOSITION FOR TREATMENT OF ISCHEMIA BIORESEARCH SPA 1993-08-20 JP disclosed
EP-0233031-B1 METHYLTHIORIBOSE ANALOGUES, THEIR PREPARATION AND USE AS MEDICINAL AGENTS AND BIOCIDES STATE OF OREGON BY AND THROUGH OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OREGON HEALTH SC. UNIV. AND OREGON STATE UNIV. (US) 1993-04-07 EP disclosed
EP-0526866-A1 The use of adenosine compounds for the preparation in the treatment of ischaemia BIORESEARCH S.p.A. (IT) 1993-02-10 EP disclosed
US-4948783-A ORALLY ADMINISTERING ADENOSINE OR DERIVATIVE KABUSHIKI KAISYA ADVANCE KAIHATSU KENKYUJO (JP) 1990-08-14 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 (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-20100047273-A1 Coxsackie B virus and type 1 diabetes IAPP, IRS1, RNASE1 AHCY 4642/4885NADK 2738/4885DOT1L 4434/4885
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells APRT, MTAP, TYMP AHCY 62/4885NADK 1514/4885DOT1L 1250/4885

“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.