SCHEMBL3673811

SCHEMBL3673811

C[Si](C)(C)CCOCn1ccnc1-c1nc(Cl)nc2ccsc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.44
ADORA1 P30542 12/20 0.44
DGAT1 O75907 2/20 0.33
ADORA3 P0DMS8 3/20 0.33
ADORA2B P29275 3/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32

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
SCHEMBL3673567 0.86 ADORA2A (0.60) ADORA2AADORA1DGAT1ADORA3ADORA2B
SCHEMBL3684961 0.81 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BTUBB4A
SCHEMBL3680302 0.75 ADORA2A (0.39) ADORA2AADORA1DGAT1TUBB4ATUBB
SCHEMBL3675263 0.75 ADORA2A (0.68) ADORA2AADORA1ADORA3ADORA2BTUBB4A
SCHEMBL9638271 0.74 DGAT1 (0.41) DGAT1PDE10A
SCHEMBL7507611 0.72 PDE10A (0.45) DGAT1PDE10A
SCHEMBL3682357 0.70 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3682389 0.70 ADORA2A (0.47) ADORA2AADORA1DGAT1ADORA3ADORA2B
SCHEMBL17902171 0.70 DGAT1 (0.36) DGAT1
SCHEMBL3569797 0.69 MET (0.33) DGAT1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2010-07-15 US disclosed
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2010-07-15 US disclosed
EP-1349861-B1 THIENO(3,2-d)PYRIMIDINES AND FURANO(3,2-d)PYRIMIDINES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2008-09-10 EP disclosed
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2008-06-26 US disclosed
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2008-06-26 US disclosed
US-7384949-B2 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyrimidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-06-10 US disclosed
US-7384949-B2 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyrimidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-06-10 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 (2 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-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES HIF1AN, HIF1A, EGLN3 ADORA2A 6/4885ADORA1 15/4885DGAT1 1641/4885
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists CHRNA5, HTR5A, CHRNA6 ADORA2A 6/4885ADORA1 37/4885DGAT1 3334/4885

“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.