SCHEMBL3301060

SCHEMBL3301060

COc1ccccc1C(=O)c1cc2c(N)nc(-c3cccc(OC(F)(F)F)c3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.47
ADORA1 P30542 7/20 0.47
RORB Q92753 7/20 0.45
ADORA3 P0DMS8 1/20 0.43
DHPS P49366 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
RORC P51449 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL3302564 0.86 ADORA2A (0.51) ADORA2AADORA1RORBDHPSMAPT
SCHEMBL13390544 0.85 DHPS (0.50) ADORA2AADORA1RORBADORA3DHPS
SCHEMBL3303429 0.82 ADORA2A (0.64) ADORA2AADORA1ADORA3
SCHEMBL3303870 0.80 ADORA2A (0.50) ADORA2AADORA1ADORA3DHPS
SCHEMBL3297068 0.77 ADORA2A (0.51) ADORA2AADORA1ADORA3
SCHEMBL3297289 0.74 ADORA2A (0.48) ADORA2AADORA1ADORA3
SCHEMBL3304836 0.70 ADORA2A (0.58) ADORA2AADORA1ADORA3
SCHEMBL13390903 0.68 ADORA2A (0.46) ADORA2AADORA1RORBADORA3RORC
SCHEMBL22397 0.67 HSD17B2 (0.64)
SCHEMBL13390661 0.66 ADORA2A (0.61) 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-2010045013-A1 PHENYL SUBSTITUTED THIENO [2,3-D] PYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
WO-2010045013-A1 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-20100093763-A1 PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20100093763-A1 PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20100093763-A1 PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES 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-20100093763-A1 PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA1 4/4885RORB 1263/4885

“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.