SCHEMBL3302010

SCHEMBL3302010

CC(C)c1ccc(-c2nc(N)c3cc(C(=O)N4CCOCC4)sc3n2)o1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.55
ADORA1 P30542 14/20 0.55
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
TSHR P16473 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
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.43
RIPK1 Q13546 1/20 0.42

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
SCHEMBL3301896 0.88 ADORA2A (0.64) ADORA2AADORA1RAB9ANPC1TSHR
SCHEMBL3302003 0.88 ADORA2A (0.49) ADORA2AADORA1
SCHEMBL3302014 0.86 ADORA2A (0.67) ADORA2AADORA1RAB9ANPC1TSHR
SCHEMBL3300716 0.84 ADORA2A (0.66) ADORA2AADORA1RAB9ANPC1TSHR
SCHEMBL2301843 0.79 ADORA2A (0.85) ADORA2AADORA1
SCHEMBL3302932 0.77 RAB9A (0.46) ADORA2AADORA1RAB9ANPC1TSHR
SCHEMBL3296743 0.77 ADORA2A (0.64) ADORA2AADORA1RAB9ANPC1TSHR
SCHEMBL3300639 0.76 ADORA2A (0.63) ADORA2AADORA1RAB9ANPC1TSHR
SCHEMBL3301710 0.75 ADORA2A (0.64) ADORA2AADORA1RAB9ANPC1TSHR
SCHEMBL13389053 0.74 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 5 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
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 4/4885RAB9A 1239/4885

“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.