SCHEMBL14696395

SCHEMBL14696395

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(O)CCCCCCCCCCCC(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.65
NNMT P40261 2/20 0.61
AHCY P23526 3/20 0.58
HIF1A Q16665 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
ROCK2 O75116 1/20 0.56
NSD2 O96028 2/20 0.55
PCMT1 P22061 2/20 0.55
DOT1L Q8TEK3 2/20 0.55
SETD7 Q8WTS6 2/20 0.55
TRDMT1 O14717 1/20 0.55
PRMT5 O14744 1/20 0.55
RNMT O43148 1/20 0.55
INMT O95050 1/20 0.55
TPMT P51580 1/20 0.55
METTL3 Q86U44 1/20 0.55
CARM1 Q86X55 1/20 0.55
EHMT2 Q96KQ7 1/20 0.55
NSD1 Q96L73 1/20 0.55

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
SCHEMBL14696483 1.00 PRKACA (0.65) PRKACANNMTAHCYHIF1ATMEM97
SCHEMBL14696726 0.96 PRKACA (0.61) PRKACANNMTAHCYHIF1ATMEM97
SCHEMBL11701602 0.93 PRKACA (0.64) PRKACANNMTAHCYHIF1ATMEM97
SCHEMBL11703275 0.92 PRKACA (0.62) PRKACANNMTAHCYHIF1ATMEM97
SCHEMBL11703639 0.89 PRKACA (0.61) PRKACANNMTAHCYHIF1ATMEM97
SCHEMBL7321542 0.86 AHCY (0.62) PRKACANNMTAHCYHIF1ATMEM97
SCHEMBL13487022 0.84 NNMT (0.77) PRKACANNMTAHCYHIF1ATMEM97
SCHEMBL14696727 0.83 NNMT (0.78) PRKACANNMTAHCYHIF1ATMEM97
SCHEMBL18026183 0.83 EHMT1 (0.62) AHCYDOT1LPRMT5EHMT1HSP90B1
SCHEMBL18026190 0.83 EHMT1 (0.62) AHCYDOT1LPRMT5EHMT1HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2019-01-08 US disclosed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 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 (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-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof ADORA2A, ADORA3, ADORA1 PRKACA 1274/4885NNMT 81/4885AHCY 217/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 PRKACA 1274/4885NNMT 81/4885AHCY 217/4885

“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.