SCHEMBL15633799

SCHEMBL15633799

CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@]2(O)C(C)(C)[C@@]12O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.50
AHCY P23526 3/20 0.50
ADORA2A P29274 6/20 0.49
ADORA1 P30542 4/20 0.49
ADORA2B P29275 3/20 0.49
YTHDC1 Q96MU7 1/20 0.48

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
SCHEMBL8306794 0.90 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL118827 0.86 ADORA3 (0.69) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5786575 0.85 ADORA2A (0.48) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL121441 0.85 ADORA3 (0.69) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1078828 0.84 ADORA2A (0.64) ADORA3AHCYADORA2AADORA1ADORA2B
SCHEMBL5987749 0.84 ADORA2A (0.47) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL28156591 0.84 ADORA2A (0.64) ADORA3AHCYADORA2AADORA1ADORA2B
SCHEMBL2294592 0.83 ADORA3 (0.43) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL258929 0.82 ADORA3 (0.59) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL122980 0.81 ADORA1 (0.72) ADORA3ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140100184-A1 SELECTIVE INHIBITORS OF HISTONE METHYLTRANSFERASE DOT1L BAYLOR COLLEGE OF MEDICINE (US) 2014-04-10 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-20140100184-A1 SELECTIVE INHIBITORS OF HISTONE METHYLTRANSFERASE DOT1L CARM1, DOT1L, PRMT1 ADORA3 4058/4885AHCY 674/4885ADORA2A 4152/4885

“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.