SCHEMBL3304867

SCHEMBL3304867

Nc1nc(-c2ncco2)nc2sc(C(=O)NC3CCOCC3)cc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.52
ADORA1 P30542 5/20 0.52
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
RAB9A P51151 3/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
NPC1 O15118 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PDE7A Q13946 4/20 0.37
CHRM4 P08173 1/20 0.37
KMT2A Q03164 2/20 0.37
KDM1A O60341 2/20 0.37
ATR Q13535 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL3300633 0.81 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL3300662 0.79 ADORA2A (0.54) ADORA2AADORA1PDE7ACHRM4KMT2A
SCHEMBL3300639 0.79 ADORA2A (0.63) ADORA2AADORA1RAB9ANPC1KMT2A
SCHEMBL3351882 0.79 ADORA2A (0.59) ADORA2AADORA1
SCHEMBL3302817 0.74 ADORA2A (0.54) ADORA2AADORA1RAB9ANPC1KMT2A
SCHEMBL2301547 0.69 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL14375381 0.65 MAPK1 (0.55) DYRK1ARAB9APDE7AKMT2A
SCHEMBL21198623 0.63 ANO1 (0.51) DYRK1ARAB9APIK3C3NPC1KDM1A
SCHEMBL13389235 0.63 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL286189 0.62 F10 (0.44) DYRK1ADYRK1BCHRM4KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010045008-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
US-20100093714-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20100093714-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20100093714-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 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-20100093714-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA1 4/4885DYRK1A 467/4885

“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.