SCHEMBL3300633

SCHEMBL3300633

Nc1nc(-c2ncco2)nc2sc(C(=O)NCCN3CCOCC3)cc12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.63
ADORA1 P30542 6/20 0.63
CA2 P00918 2/20 0.47
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
STAT3 P40763 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44
MMP12 P39900 1/20 0.44
HPGDS O60760 1/20 0.44
ICAM1 P05362 1/20 0.43
SELE P16581 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3300639 0.81 ADORA2A (0.63) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL3304867 0.81 ADORA2A (0.52) ADORA2AADORA1
SCHEMBL3300008 0.80 ADORA2A (0.80) ADORA2AADORA1
SCHEMBL3305687 0.80 ADORA2A (0.66) ADORA2AADORA1ALDH1A1CYP3A4CYP2D6
SCHEMBL13389241 0.80 ADORA2A (0.55) ADORA2AADORA1CA2KDM4EALDH1A1
SCHEMBL2301547 0.78 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL3302817 0.76 ADORA2A (0.54) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL3351882 0.75 ADORA2A (0.59) ADORA2AADORA1
SCHEMBL13109640 0.73 HSP90AB1 (0.64) ADORA2AADORA1CA2KDM4EALDH1A1
SCHEMBL3338496 0.70 ADORA2A (0.49) ADORA2AADORA1CA2KDM4EALDH1A1

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 4/4885CA2 4445/4885

“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.