SCHEMBL13392014

SCHEMBL13392014

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(-c2cccc(C#N)c2)nc2sc(C(O)c3cccnc3N3CCCCC3)cc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.37
ADORA2A P29274 12/20 0.37
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
PDE4D Q08499 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
SLC6A7 Q99884 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32

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
SCHEMBL13391949 0.93 ADORA1 (0.39) ADORA1ADORA2APDE4DLRRK2
SCHEMBL13391834 0.88 ADORA2A (0.39) ADORA1ADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL13392063 0.87 ADORA2A (0.40) ADORA1ADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL13391902 0.86 ADORA2A (0.39) ADORA1ADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL13391929 0.85 ADORA2A (0.40) ADORA1ADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL13392016 0.83 ADORA2A (0.37) ADORA1ADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL13390601 0.83 ADORA2A (0.47) ADORA1ADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL13392015 0.83 ADORA2A (0.42) ADORA1ADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL13392083 0.83 ADORA2A (0.40) ADORA1ADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL13392032 0.83 ADORA2A (0.41) ADORA1ADORA2ACYP1A2CYP3A4CYP2D6

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
WO-2010045012-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO [2,3-D] PYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
US-20100093722-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (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-20100093722-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B ADORA1 4/4885ADORA2A 1/4885CYP1A2 955/4885

“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.