SCHEMBL3301981

SCHEMBL3301981

N#Cc1cccc(-c2nc(N)c3cc(C(=O)NCc4cccnc4)sc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.56
ADORA1 P30542 14/20 0.54
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
CYP2C9 P11712 1/20 0.52
KMT2A Q03164 1/20 0.52
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
ROCK2 O75116 1/20 0.45
ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL3301936 0.92 ADORA2A (0.54) ADORA2AADORA1ALDH1A1CYP1A2CYP3A4
SCHEMBL13389270 0.92 ADORA2A (0.46) ADORA2AADORA1ALDH1A1CYP1A2CYP3A4
SCHEMBL13407611 0.89 ADORA2A (0.49) ADORA2AADORA1ALDH1A1CYP1A2CYP3A4
SCHEMBL3300340 0.84 ADORA2A (0.60) ADORA2AADORA1ADORA3
SCHEMBL13389221 0.83 LIMK1 (0.46) ADORA2AADORA1MEN1KMT2A
SCHEMBL3300870 0.80 ADORA2A (0.80) ADORA2AADORA1
SCHEMBL13407610 0.80 LIMK1 (0.49) ADORA2AADORA1MEN1KMT2A
SCHEMBL3299945 0.79 ADORA2A (0.55) ADORA2AADORA1ALDH1A1TSHRMAPK1
SCHEMBL3351568 0.79 ADORA2A (0.75) ADORA2AADORA1ADORA3
SCHEMBL3302092 0.77 TSHR (0.55) ADORA2AADORA1ALDH1A1TSHRMAPK1

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 3 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

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 4/4885ALDH1A1 564/4885

“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.