SCHEMBL3301936

SCHEMBL3301936

N#Cc1cccc(-c2nc(N)c3cc(C(=O)NCCc4cccnc4)sc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.54
ADORA1 P30542 15/20 0.53
LIMK1 P53667 1/20 0.46
LIMK2 P53671 1/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL13389221 0.92 LIMK1 (0.46) ADORA2AADORA1LIMK1LIMK2MEN1
SCHEMBL3301981 0.92 ADORA2A (0.56) ADORA2AADORA1MEN1USP2ALDH1A1
SCHEMBL13407610 0.89 LIMK1 (0.49) ADORA2AADORA1LIMK1LIMK2MEN1
SCHEMBL13389270 0.83 ADORA2A (0.46) ADORA2AADORA1MEN1USP2ALDH1A1
SCHEMBL13407611 0.80 ADORA2A (0.49) ADORA2AADORA1USP2ALDH1A1CYP1A2
SCHEMBL3302629 0.80 ADORA2A (0.53) ADORA2AADORA1LIMK1LIMK2ALDH1A1
SCHEMBL3300340 0.80 ADORA2A (0.60) ADORA2AADORA1ADORA3
SCHEMBL3300870 0.79 ADORA2A (0.80) ADORA2AADORA1
SCHEMBL3305687 0.78 ADORA2A (0.66) ADORA2AADORA1USP2ALDH1A1CYP1A2
SCHEMBL3302089 0.78 CHRM4 (0.46) ADORA2AADORA1LIMK1LIMK2MEN1

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 4/4885LIMK1 4611/4885

“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.