SCHEMBL3300109

SCHEMBL3300109

N#Cc1cccc(-c2nc(N)c3cc(NCc4cccc(F)c4)sc3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.60
ADORA1 P30542 16/20 0.60
ADORA3 P0DMS8 1/20 0.49
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46

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
SCHEMBL3304650 0.79 ADORA2A (0.73) ADORA2AADORA1ADORA3MEN1USP2
SCHEMBL3299355 0.78 ADORA2A (0.64) ADORA2AADORA1ADORA3
SCHEMBL13393922 0.77 ADORA2A (0.64) ADORA2AADORA1ADORA3MEN1ALDH1A1
SCHEMBL3302826 0.75 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL3300111 0.74 ADORA2A (0.55) ADORA2AADORA1ADORA3
SCHEMBL3307751 0.74 ADORA2A (0.82) ADORA2AADORA1ADORA3
SCHEMBL3297795 0.74 ADORA2A (0.65) ADORA2AADORA1ADORA3
SCHEMBL13393930 0.74 ADORA2A (0.64) ADORA2AADORA1ADORA3
SCHEMBL3304000 0.74 ADORA2A (0.57) ADORA2AADORA1ADORA3
Hydrochloric Acid SCHEMBL3306979 0.73 ADORA2A (0.63) ADORA2AADORA1ADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010045017-A1 AMINES AND SULFOXIDES OF THIENO [2,3-D] PYRIMIDINE AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
US-20100093764-A1 AMINES AND SULFOXIDES 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-20100093764-A1 AMINES AND SULFOXIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA1 4/4885ADORA3 2/4885

“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.