SCHEMBL332026

SCHEMBL332026

Nc1nc(Cl)c(N)c(N[C@H]2C=C[C@@H](CO)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.41
ALB P02768 1/20 0.41
PDE4D Q08499 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.34
ABCB1 P08183 1/20 0.30

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
SCHEMBL6691478 1.00 NR1I2 (0.41) NR1I2ALBPDE4DIRAK4ABCB1
SCHEMBL13790123 1.00 NR1I2 (0.41) NR1I2ALBPDE4DIRAK4ABCB1
SCHEMBL6691481 1.00 NR1I2 (0.41) NR1I2ALBPDE4DIRAK4ABCB1
SCHEMBL18480735 0.87 NR1I2 (0.33) NR1I2ALBPDE4D
SCHEMBL13789991 0.87 NR1I2 (0.39) NR1I2ALBPDE4DIRAK4
SCHEMBL20616297 0.85 NR1I2 (0.32) NR1I2ALBPDE4D
SCHEMBL5117081 0.83 NR1I2 (0.37) NR1I2ALBPDE4DIRAK4
SCHEMBL14049050 0.83 NR1I2 (0.37) NR1I2ALBPDE4DIRAK4
SCHEMBL4980179 0.83 NR1I2 (0.37) NR1I2ALBPDE4DIRAK4
SCHEMBL331086 0.83 NR1I2 (0.37) NR1I2ALBPDE4DIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190000853-A1 ANTIVIRAL 4-(2-AMINO-6-HETEROCYLYL-9H-PURIN-9-YL)-2-CYCLOPENTENE-1 -METHANOL COMPOUNDS UNIV LIVERPOOL (GB) 2019-01-03 US disclosed
US-20190000853-A1 ANTIVIRAL 4-(2-AMINO-6-HETEROCYLYL-9H-PURIN-9-YL)-2-CYCLOPENTENE-1 -METHANOL COMPOUNDS UNIV LIVERPOOL (GB) 2019-01-03 US disclosed
WO-2017021716-A1 ANTIVIRAL 4-(2-AMINO-6-HETEROCYLYL-9H-PURIN-9-YL)-2-CYCLOPENTENE-1 -METHANOL COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2017-02-09 WO disclosed
US-8097723-B2 Process for the preparation of abacavir ESTEVE QUIMICA, S.A. (ES) 2012-01-17 US disclosed
US-8097723-B2 Process for the preparation of abacavir ESTEVE QUIMICA, S.A. (ES) 2012-01-17 US disclosed
US-8097723-B2 Process for the preparation of abacavir ESTEVE QUIMICA, S.A. (ES) 2012-01-17 US disclosed
EP-2125814-B1 PROCESS FOR THE PREPARATION OF ABACAVIR ESTEVE QUIMICA SA (ES) 2010-07-14 EP disclosed
US-20100041883-A1 Process for the preparation of abacavir Esteve Química, S.A. (ES) 2010-02-18 US disclosed
US-20100041883-A1 Process for the preparation of abacavir Esteve Química, S.A. (ES) 2010-02-18 US disclosed
US-20100041883-A1 Process for the preparation of abacavir Esteve Química, S.A. (ES) 2010-02-18 US disclosed
EP-0921121-A1 Intermediates to therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1999-06-09 EP disclosed
US-5840990-A ENANTIOMORPHS AND VIRICIDES FOR CHEMICAL INTERMEDIATES GLAXO WELLCOME INC. (US) 1998-11-24 US disclosed
US-5641889-A AMINO-HYDROXY-CYCLOPENTENE INTERMEDIATES FOR PURINE NUCLEOSIDES; VIRICIDES GLAXO WELLCOME INC. (US) 1997-06-24 US disclosed
EP-0349242-B1 Therapeutic nucleosides WELLCOME FOUND (GB) 1995-03-22 EP disclosed
EP-0628044-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-14 EP disclosed
WO-1993017020-A2 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-02 WO disclosed
EP-0325460-B1 DIDEOXYDIDEHYDROCARBOCYCLIC NUCLEOSIDES THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1992-10-21 EP disclosed
EP-0434450-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1991-06-26 EP disclosed
EP-0349242-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1990-01-03 EP disclosed
EP-0325460-A1 Dideoxydidehydrocarbocyclic nucleosides THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1989-07-26 EP 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-20190000853-A1 ANTIVIRAL 4-(2-AMINO-6-HETEROCYLYL-9H-PURIN-9-YL)-2-CYCLOPENTENE-1 -METHANOL COMPOUNDS MAVS, TYMP, SAMHD1 NR1I2 2110/4885ALB 4515/4885PDE4D 460/4885
US-20100041883-A1 Process for the preparation of abacavir CYP4A11, CYP4F11, CYP3A4 NR1I2 3021/4885ALB 3231/4885PDE4D 582/4885

“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.