SCHEMBL2421602

SCHEMBL2421602

Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AHCY P23526 15/20 1.00
ADORA2A P29274 1/20 0.61
ADORA2B P29275 1/20 0.61
ADORA3 P0DMS8 1/20 0.60

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
SCHEMBL10432751 1.00 AHCY (1.00) AHCYADORA2AADORA2BADORA3
SCHEMBL10432710 1.00 AHCY (1.00) AHCYADORA2AADORA2BADORA3
SCHEMBL10432216 1.00 AHCY (1.00) AHCYADORA2AADORA2BADORA3
SCHEMBL26382105 1.00 AHCY (1.00) AHCYADORA2AADORA2BADORA3
SCHEMBL12280207 1.00 AHCY (1.00) AHCYADORA2AADORA2BADORA3
SCHEMBL10459031 1.00 AHCY (1.00) AHCYADORA2AADORA2BADORA3
SCHEMBL12280226 1.00 AHCY (1.00) AHCYADORA2AADORA2BADORA3
SCHEMBL29430167 1.00 AHCY (1.00) AHCYADORA2AADORA2BADORA3
Hydrochloric Acid SCHEMBL2418621 0.99 AHCY (0.97) AHCYADORA2AADORA2BADORA3
Hydrochloric Acid SCHEMBL2412642 0.99 AHCY (0.97) AHCYADORA2AADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627333-A1 COMBINATION TREATMENT OF CANCER Agency For Science, Technology And Research (SG) 2013-08-21 EP claimed
US-20130210024-A1 COMBINATION TREATMENT OF CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-08-15 US claimed
WO-2012050532-A1 COMBINATION TREATMENT OF CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-19 WO claimed
US-20110237606-A1 3-Deazaneplanocin Derivatives AGENCY OF SCIENCE, TECHNOLOGY AND RESEARCH 2011-09-29 US claimed
EP-0368640-A2 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-05-16 EP claimed
WO-2019185849-A1 REGENERATION OF PLANTS IN THE PRESENCE OF INHIBITORS OF THE HISTONE METHYLTRANSFERASE EZH2 KWS SAAT SE & Co. KGaA (DE) 2019-10-03 WO disclosed
EP-3545756-A1 REGENERATION OF PLANTS IN THE PRESENCE OF INHIBITORS OF THE HISTONE METHYLTRANSFERASE EZH2 KWS SAAT SE & Co. KGaA (DE) 2019-10-02 EP disclosed
EP-2646441-B1 CARBOCYCLE-SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS EPIZYME INC (US) 2015-12-02 EP disclosed
EP-2627333-A1 COMBINATION TREATMENT OF CANCER Agency For Science, Technology And Research (SG) 2013-08-21 EP disclosed
US-20130210024-A1 COMBINATION TREATMENT OF CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-08-15 US disclosed
WO-2012050532-A1 COMBINATION TREATMENT OF CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-19 WO disclosed
US-20110237606-A1 3-Deazaneplanocin Derivatives AGENCY OF SCIENCE, TECHNOLOGY AND RESEARCH 2011-09-29 US disclosed
US-20110237606-A1 3-Deazaneplanocin Derivatives AGENCY OF SCIENCE, TECHNOLOGY AND RESEARCH 2011-09-29 US disclosed
US-20110237606-A1 3-Deazaneplanocin Derivatives AGENCY OF SCIENCE, TECHNOLOGY AND RESEARCH 2011-09-29 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 (1 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-20110237606-A1 3-Deazaneplanocin Derivatives EZH2, SUZ12, DAZAP1 AHCY 4001/4885ADORA2A 4784/4885ADORA2B 4857/4885

“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.