SCHEMBL3679866

SCHEMBL3679866

Clc1nc(-n2cccc2)c2sccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.50
ADORA1 P30542 3/20 0.50
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
AXL P30530 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL55563 0.78 ADORA2A (0.58) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL31462939 0.78 ADORA2A (0.58) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL3682651 0.76 ADORA2A (0.57) ADORA2AADORA1
SCHEMBL20589783 0.75 PDE4A (0.57) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL2801448 0.74 HRH4 (0.53) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL31259505 0.72 HTR2C (0.61) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL31259506 0.72 HTR2C (0.61) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL189594 0.72 PIK3CA (0.72) ADORA2AADORA1PIK3CAPIK3R1POLB
SCHEMBL4554183 0.70 PIK3CA (0.41) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL13236422 0.69 ADORA2A (0.53) ADORA2AADORA1TUBB4ATUBBTUBA3C

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
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-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 15/4885TUBB4A 4643/4885
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 37/4885TUBB4A 3773/4885

“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.