SCHEMBL4490402

SCHEMBL4490402

Nc1nc(Cl)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.67
ALB P02768 1/20 0.67
PDE4D Q08499 1/20 0.67
ABCB1 P08183 5/20 0.52
ADCY5 O95622 6/20 0.48
AHCY P23526 1/20 0.45
NT5E P21589 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 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
SCHEMBL7654778 1.00 NR1I2 (0.67) NR1I2ALBPDE4DABCB1ADCY5
SCHEMBL31454794 1.00 NR1I2 (0.67) NR1I2ALBPDE4DABCB1ADCY5
SCHEMBL13789990 1.00 NR1I2 (0.67) NR1I2ALBPDE4DABCB1ADCY5
SCHEMBL6764237 1.00 NR1I2 (0.67) NR1I2ALBPDE4DABCB1ADCY5
SCHEMBL31454816 1.00 NR1I2 (0.67) NR1I2ALBPDE4DABCB1ADCY5
SCHEMBL6694128 1.00 NR1I2 (0.67) NR1I2ALBPDE4DABCB1ADCY5
SCHEMBL14048997 1.00 NR1I2 (0.67) NR1I2ALBPDE4DABCB1ADCY5
SCHEMBL7099022 1.00 NR1I2 (0.67) NR1I2ALBPDE4DABCB1ADCY5
Hydrochloric Acid SCHEMBL6897280 0.99 NR1I2 (0.66) NR1I2ALBPDE4DABCB1ADCY5
Hydrochloric Acid SCHEMBL6897283 0.99 NR1I2 (0.66) NR1I2ALBPDE4DABCB1ADCY5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448402-B2 REDUCTION OF 2-AZABICYCLO(2.2.1)HEPT-5-EN-3-ONE USING METAL HYRIDE LONZA AG (CH) 2002-09-10 US claimed
CN-112512529-B Cyclopentenepurine derivative or salt thereof 富士胶片株式会社 2024-06-18 CN disclosed
US-20230111132-A1 STABILIZATION OF MHC COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-04-13 US disclosed
EP-4081254-A1 STABILIZATION OF MHC COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-11-02 EP disclosed
WO-2021133742-A1 STABILIZATION OF MHC COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-01 WO disclosed
WO-2021133742-A1 STABILIZATION OF MHC COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-01 WO disclosed
US-20210155644-A1 CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2021-05-27 US disclosed
CN-112512529-A Cyclopentene purine derivatives or salts thereof 富士胶片株式会社 2021-03-16 CN 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
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-5034394-A Therapeutic nucleosides BURROUGHS WELLCOME CO. (US) 1991-07-23 US disclosed
EP-0434450-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1991-06-26 EP disclosed
WO-1991000282-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1991-01-10 WO disclosed
US-4950758-A ANTIVIRAL AND ANTITUMOR AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1990-08-21 US disclosed
US-4931559-A VIRICIDES, ANTITUMOR AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1990-06-05 US disclosed
EP-0366385-A1 Guanine derivatives having antiviral activity and their pharmaceutically acceptable salts THE WELLCOME FOUNDATION LIMITED (GB) 1990-05-02 EP disclosed
US-4916224-A VIRICIDES FOR TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1990-04-10 US disclosed
EP-0361831-A1 Antiviral nucleoside combination THE WELLCOME FOUNDATION LIMITED (GB) 1990-04-04 EP disclosed
EP-0349242-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1990-01-03 EP disclosed
EP-0346132-A1 Pharmaceutical products THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1989-12-13 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 (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-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-20230111132-A1 STABILIZATION OF MHC COMPLEXES MICA, CD74, HLA-DRB1 NR1I2 2104/4885ALB 356/4885PDE4D 4838/4885
US-20210155644-A1 CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF SLC28A1, SLC20A1, NOX1 NR1I2 1724/4885ALB 4355/4885PDE4D 2510/4885

“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.