SCHEMBL12281124

SCHEMBL12281124

CC1=C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AHCY P23526 13/20 1.00
ADORA2A P29274 1/20 0.51
ADORA3 P0DMS8 1/20 0.51

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
SCHEMBL26382111 1.00 AHCY (1.00) AHCYADORA2AADORA3
Hydrochloric Acid SCHEMBL1935723 0.99 AHCY (0.97) AHCYADORA2AADORA3
SCHEMBL26382007 0.86 AHCY (0.76) AHCYADORA3
SCHEMBL26382114 0.85 AHCY (0.74) AHCYADORA2AADORA3
SCHEMBL12280183 0.83 AHCY (0.80) AHCYADORA2AADORA3
Neoplanocin A SCHEMBL12157269 0.82 AHCY (1.00) AHCYADORA2AADORA3
Neoplanocin A SCHEMBL10576831 0.82 AHCY (1.00) AHCYADORA2AADORA3
Neoplanocin A SCHEMBL863873 0.82 AHCY (1.00) AHCYADORA2AADORA3
Neoplanocin A SCHEMBL17117192 0.82 AHCY (1.00) AHCYADORA2AADORA3
SCHEMBL864418 0.82 AHCY (0.81) AHCY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010036213-A1 3-DEAZANEPLANOCIN DERIVATIVES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-04-01 WO 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 4784/4885ADORA3 4816/4885

“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.