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SCHEMBL3300642

SCHEMBL3300642

Cc1csc(-c2nc(N)c3cc(C(=O)N4CCN(c5nccs5)CC4)sc3n2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.50
▸ ADORA1 P30542 7/20 0.43
▸ SLC6A7 Q99884 1/20 0.41
▸ SCD O00767 1/20 0.40
▸ KMT2A Q03164 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ GRM1 Q13255 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ KDR P35968 1/20 0.35

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
SCHEMBL3300604 0.85 ADORA2A (0.53) ADORA2AADORA1KMT2ARXFP1NPC1
SCHEMBL13389229 0.83 ADORA2A (0.55) ADORA2AADORA1KMT2ARXFP1NPC1
SCHEMBL3296688 0.83 ADORA2A (0.54) ADORA2AADORA1KMT2ARXFP1NPC1
SCHEMBL3296743 0.82 ADORA2A (0.64) ADORA2AADORA1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL3302026 0.82 ADORA2A (0.54) ADORA2AADORA1KMT2ARXFP1NPC1
SCHEMBL3300724 0.79 ADORA2A (0.53) ADORA2AADORA1KMT2ARXFP1KDM4E
SCHEMBL3301710 0.76 ADORA2A (0.64) ADORA2AADORA1KMT2ANPC1RAB9A
SCHEMBL3348239 0.75 ADORA2A (0.70) ADORA2AADORA1KMT2ANPC1RAB9A
SCHEMBL13389395 0.70 ADORA2A (0.48) ADORA2AADORA1KMT2ANPC1RAB9A
SCHEMBL3302988 0.69 ADORA2A (0.47) ADORA2AADORA1NPC1RAB9AL3MBTL1

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 4/4885SLC6A7 1807/4885

“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.