SCHEMBL1754983

SCHEMBL1754983

CC(C)c1nc(-c2nccs2)c2sccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 1.00
ADORA1 P30542 18/20 1.00
ADORA3 P0DMS8 5/20 1.00
ADORA2B P29275 5/20 1.00
RAB9A P51151 1/20 0.39

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
SCHEMBL12651706 0.86 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2BRAB9A
SCHEMBL3678085 0.78 ADORA1 (0.64) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3679573 0.76 ADORA1 (1.00) ADORA2AADORA1ADORA3ADORA2BRAB9A
SCHEMBL3684455 0.76 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3677518 0.76 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3673669 0.76 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3674131 0.76 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4711353 0.74 ADORA2A (0.58) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL17297731 0.74 ADORA2A (0.58) ADORA2AADORA1ADORA3ADORA2BRAB9A
SCHEMBL3674942 0.73 ADORA2A (0.65) ADORA2AADORA1ADORA3ADORA2B

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
US-20040097524-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyimidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-05-20 US claimed
US-11413324-B2 Compositions and methods for treating peripheral nerve disease, disorders, and injuries UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-08-16 US disclosed
US-11246871-B2 Targeting adenosine A2A receptors for the treatment of levodopa-induced dyskinesias NORTHWESTERN UNIVERSITY (US) 2022-02-15 US disclosed
US-20200345725-A1 Methods and Compositions for Treating Cancer OMEROS CORPORATOIN 2020-11-05 US disclosed
US-20200316074-A1 TARGETING ADENOSINE A2A RECEPTORS FOR THE TREATMENT OF LEVODOPA-INDUCED DYSKINESIAS NORTHWESTERN UNIVERSITY 2020-10-08 US disclosed
WO-2018170359-A1 COMPOSITIONS AND METHODS FOR TREATING PERIPHERAL NERVE DISEASE, DISORDERS, AND INJURIES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-09-20 WO disclosed
EP-2564871-B1 Therapeutic Agent for Migraine KYOWA HAKKO KIRIN CO LTD (JP) 2017-11-15 EP disclosed
US-9254283-B2 Therapeutic agent for migraine KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-02-09 US disclosed
US-8865731-B2 Inhibitor of analgesic tolerance KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-10-21 US disclosed
EP-1949903-A2 COMPOUNDS FOR THE TREATMENT OF AURICULAR FIBRILLATION Proyecto de Biomedicina Cima, S.L. (ES) 2008-07-30 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-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
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
WO-2007045705-A2 COMPOUNDS FOR THE TREATMENT OF AURICULAR FIBRILLATION PROYECTO DE BIOMEDICINA CIMA, S.L. (ES) 2007-04-26 WO disclosed
US-20040097524-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyimidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-05-20 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 (6 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-20200316074-A1 TARGETING ADENOSINE A2A RECEPTORS FOR THE TREATMENT OF LEVODOPA-INDUCED DYSKINESIAS ADORA2A, PARK7, ADORA3 ADORA2A 1/4885ADORA1 6/4885ADORA3 3/4885
US-20040097524-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyimidines and their use as purinergic receptor antagonists CNR1, CNR2, RYR2 ADORA2A 26/4885ADORA1 67/4885ADORA3 70/4885
US-20200345725-A1 Methods and Compositions for Treating Cancer LPAR5, LPAR3, LPAR1 ADORA2A 133/4885ADORA1 792/4885ADORA3 823/4885
US-11413324-B2 Compositions and methods for treating peripheral nerve disease, disorders, and injuries GAP43, EPHA4, EPHA3 ADORA2A 27/4885ADORA1 59/4885ADORA3 25/4885
US-11246871-B2 Targeting adenosine A2A receptors for the treatment of levodopa-induced dyskinesias ADORA2A, PARK7, ADORA3 ADORA2A 1/4885ADORA1 6/4885ADORA3 3/4885
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 37/4885ADORA3 10/4885

“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.