SCHEMBL3300604

SCHEMBL3300604

Cc1csc(-c2nc(N)c3cc(C(=O)N4CCN(c5ccncc5)CC4)sc3n2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.53
ADORA1 P30542 6/20 0.45
C1S P09871 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL3296743 0.85 ADORA2A (0.64) ADORA2AADORA1KMT2AMEN1ALDH1A1
SCHEMBL3300642 0.85 ADORA2A (0.50) ADORA2AADORA1KMT2AALDH1A1RXFP1
SCHEMBL13389229 0.83 ADORA2A (0.55) ADORA2AADORA1KMT2AMEN1ALDH1A1
SCHEMBL3296688 0.83 ADORA2A (0.54) ADORA2AADORA1KMT2AMEN1RXFP1
Hydrochloric Acid SCHEMBL3302026 0.83 ADORA2A (0.54) ADORA2AADORA1KMT2AMEN1ALDH1A1
SCHEMBL3300724 0.80 ADORA2A (0.53) ADORA2AADORA1KMT2AMEN1ALDH1A1
SCHEMBL3348239 0.76 ADORA2A (0.70) ADORA2AADORA1KMT2AMEN1ALDH1A1
SCHEMBL13389395 0.72 ADORA2A (0.48) ADORA2AADORA1KMT2AMEN1ALDH1A1
SCHEMBL3302988 0.72 ADORA2A (0.47) ADORA2AADORA1ALDH1A1GAANPC1
SCHEMBL3301710 0.71 ADORA2A (0.64) ADORA2AADORA1KMT2AMEN1ALDH1A1

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-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
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 4/4885C1S 1677/4885

“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.