SCHEMBL6704430

SCHEMBL6704430

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)NO)[C@@H](O)[C@H]1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.75
PLA2G2A P14555 1/20 0.70
ADORA1 P30542 3/20 0.70
ADORA3 P0DMS8 2/20 0.70
ADORA2A P29274 2/20 0.70
ADORA2B P29275 2/20 0.70
P2RY1 P47900 4/20 0.68
P2RY2 P41231 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
SRC P12931 2/20 0.68
DNPH1 O43598 1/20 0.68
PRKAB2 O43741 1/20 0.68
TRPM2 O94759 1/20 0.68
LDHA P00338 1/20 0.68
ADRB2 P07550 1/20 0.68
FBP1 P09467 1/20 0.68
PRKAG1 P54619 1/20 0.68
PRKAA2 P54646 1/20 0.68
PDE4D Q08499 1/20 0.68
KCNH2 Q12809 1/20 0.68

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
SCHEMBL3432901 0.89 PRKACA (0.71) PRKACAPLA2G2AADORA1ADORA3ADORA2A
SCHEMBL7226454 0.89 HINT1 (0.78) PRKACAPLA2G2AADORA1ADORA3ADORA2A
SCHEMBL1000840 0.89 HINT1 (0.78) PRKACAPLA2G2AADORA1ADORA3ADORA2A
SCHEMBL9426538 0.89 PRKACA (0.73) PRKACAADORA1ADORA3ADORA2AADORA2B
SCHEMBL19859780 0.89 ADORA1 (0.73) PRKACAPLA2G2AADORA1ADORA3ADORA2A
SCHEMBL2463542 0.89 PRKACA (0.73) PRKACAADORA1ADORA3ADORA2AADORA2B
SCHEMBL1757017 0.89 ADORA1 (0.73) PRKACAPLA2G2AADORA1ADORA3ADORA2A
SCHEMBL1961271 0.88 PRKACA (0.70) PRKACAPLA2G2AADORA1ADORA3ADORA2A
SCHEMBL219554 0.88 P2RY1 (0.71) PRKACAADORA1ADORA3ADORA2AADORA2B
SCHEMBL31001632 0.88 P2RY1 (0.71) PRKACAADORA1ADORA3ADORA2AADORA2B

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 8 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 disclosed
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
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
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 PRKACA 4504/4885PLA2G2A 746/4885ADORA1 2/4885
US-20040242531-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADRA1D, ADORA1, ADRA2C PRKACA 4504/4885PLA2G2A 746/4885ADORA1 2/4885

“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.