SCHEMBL3302629

SCHEMBL3302629

Cc1csc(-c2nc(N)c3cc(C(=O)NCCc4cccnc4)sc3n2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.53
ADORA1 P30542 5/20 0.52
CHRM4 P08173 1/20 0.46
NAMPT P43490 2/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 1/20 0.42
LIMK1 P53667 1/20 0.42
LIMK2 P53671 1/20 0.42
USP28 Q96RU2 2/20 0.42
USP25 Q9UHP3 2/20 0.42
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3299945 0.91 ADORA2A (0.55) ADORA2AADORA1CHRM4ALDH1A1
SCHEMBL13407610 0.83 LIMK1 (0.49) ADORA2AADORA1CHRM4NAMPTHDAC2
SCHEMBL3302089 0.82 CHRM4 (0.46) ADORA2AADORA1CHRM4NAMPTHDAC2
SCHEMBL13389221 0.80 LIMK1 (0.46) ADORA2AADORA1CHRM4NAMPTHDAC2
SCHEMBL3301936 0.80 ADORA2A (0.54) ADORA2AADORA1LIMK1LIMK2ALDH1A1
SCHEMBL13389260 0.79 ADORA2A (0.59) ADORA2AADORA1CHRM4RAB9A
SCHEMBL13389206 0.77 ADORA2A (0.52) ADORA2AADORA1CHRM4ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL3295775 0.76 ADORA2A (0.51) ADORA2AADORA1CHRM4ALDH1A1RAB9A
SCHEMBL3338496 0.75 ADORA2A (0.49) ADORA2AADORA1ALDH1A1SMN1; SMN2
SCHEMBL13407611 0.74 ADORA2A (0.49) ADORA2AADORA1CHRM4POLBALDH1A1

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 4/4885CHRM4 461/4885

“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.