SCHEMBL6698657

SCHEMBL6698657

CCC(CC)OC([C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)N(C=O)CC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHCY P23526 8/20 0.55
TSHR P16473 3/20 0.53
HSP90B1 P14625 2/20 0.53
MAPK1 P28482 2/20 0.53
CYP2C19 P33261 1/20 0.53
HSP90AA1 P07900 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
TMIGD3 P0DMS9 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
ADORA1 P30542 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MEN1 O00255 1/20 0.53
CYP2C9 P11712 1/20 0.53
KMT2A Q03164 1/20 0.53
HIF1A Q16665 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL19066616 0.90 AHCY (0.58) AHCYTSHRHSP90B1MAPK1CYP2C19
SCHEMBL5685760 0.85 AHCY (0.54) AHCYTSHRHSP90B1MAPK1CYP2C19
SCHEMBL28901883 0.85 AHCY (0.61) AHCYTSHRHSP90B1MAPK1CYP2C19
SCHEMBL29877256 0.85 AHCY (0.61) AHCYTSHRHSP90B1MAPK1CYP2C19
SCHEMBL177772 0.85 AHCY (0.61) AHCYTSHRHSP90B1MAPK1CYP2C19
SCHEMBL7924078 0.85 AHCY (0.53) AHCYTSHRHSP90B1MAPK1CYP2C19
SCHEMBL7165363 0.84 AHCY (0.51) AHCYTSHRHSP90B1MAPK1CYP2C19
SCHEMBL8461385 0.81 AHCY (0.51) AHCYTSHRHSP90B1MAPK1CYP2C19
SCHEMBL2118357 0.79 DPP4 (0.61) AHCYTSHRHSP90B1MAPK1CYP2C19
SCHEMBL6154646 0.79 ADORA2A (0.50) TSHRHSP90B1MAPK1CYP2C19HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242531-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADERIS PHARMACEUTICALS, INC. 2004-12-02 US claimed
US-20040242930-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADERIS PHARMACEUTICALS, INC. 2004-12-02 US claimed
US-6784165-B1 ADENOSINE A1 RECEPTOR AGONISTS ADERIS PHARMACEUTICALS, INC. 2004-08-31 US claimed
EP-1239864-A1 TREATMENT OF HEART RHYTHM DISTURBANCES WITH N6 -SUBSTITUTED-5'-(N-SUBSTITUTED) CARBOXAMIDOADENOSINES Aderis Pharmaceuticals, Inc. (US) 2002-09-18 EP claimed
WO-2001037845-A1 TREATMENT OF HEART RHYTHM DISTURBANCES WITH N6-SUBSTITUTED-5'-(N-SUBSTITUTED) CARBOXAMIDOADENOSINES ADERIS PHARMACEUTICALS, INC. (US) 2001-05-31 WO claimed
US-20040242531-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADERIS PHARMACEUTICALS, INC. 2004-12-02 US disclosed
US-20040242930-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADERIS PHARMACEUTICALS, INC. 2004-12-02 US disclosed
US-6784165-B1 ADENOSINE A1 RECEPTOR AGONISTS ADERIS PHARMACEUTICALS, INC. 2004-08-31 US disclosed
EP-1239864-A1 TREATMENT OF HEART RHYTHM DISTURBANCES WITH N6 -SUBSTITUTED-5'-(N-SUBSTITUTED) CARBOXAMIDOADENOSINES Aderis Pharmaceuticals, Inc. (US) 2002-09-18 EP disclosed
WO-2001037845-A1 TREATMENT OF HEART RHYTHM DISTURBANCES WITH N6-SUBSTITUTED-5'-(N-SUBSTITUTED) CARBOXAMIDOADENOSINES ADERIS PHARMACEUTICALS, INC. (US) 2001-05-31 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 (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-20040242930-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADRA1D, ADORA1, ADRA2C AHCY 598/4885TSHR 1740/4885HSP90B1 3739/4885
US-20040242531-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADRA1D, ADORA1, ADRA2C AHCY 598/4885TSHR 1740/4885HSP90B1 3739/4885

“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.