SCHEMBL3300716

SCHEMBL3300716

Nc1nc(-c2ccc(C3CC3)o2)nc2sc(C(=O)N3CCOCC3)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.66
ADORA1 P30542 13/20 0.54
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RIPK1 Q13546 1/20 0.41
USP2 O75604 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3304338 0.87 ADORA2A (0.53) ADORA2AADORA1KMT2A
SCHEMBL3301896 0.85 ADORA2A (0.64) ADORA2AADORA1NPC1RAB9AHPGD
SCHEMBL13389235 0.85 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL3351565 0.84 ADORA2A (0.64) ADORA2AADORA1
SCHEMBL3302010 0.84 ADORA2A (0.55) ADORA2AADORA1NPC1RAB9AHPGD
SCHEMBL3302014 0.83 ADORA2A (0.67) ADORA2AADORA1NPC1RAB9AHPGD
SCHEMBL2305226 0.80 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL3296743 0.76 ADORA2A (0.64) ADORA2AADORA1NPC1RAB9AHPGD
SCHEMBL3300639 0.75 ADORA2A (0.63) ADORA2AADORA1NPC1RAB9AHPGD
SCHEMBL2301125 0.75 ADORA2A (0.66) ADORA2AADORA1

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 4/4885NPC1 3954/4885

“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.