SCHEMBL1780985

SCHEMBL1780985

O=C(c1cccs1)c1nc(Cl)nc2cc(Cl)sc12

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.60
ADORA2B P29275 8/20 0.60
ADORA1 P30542 18/20 0.49
ADORA3 P0DMS8 7/20 0.45

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
SCHEMBL6214522 0.82 ADORA2A (0.71) ADORA2AADORA2BADORA1
SCHEMBL1782226 0.76 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL20784800 0.75 DAO (0.39) ADORA2AADORA2B
SCHEMBL6859325 0.74 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL6859410 0.73 ADORA2A (0.51) ADORA2AADORA2BADORA1
SCHEMBL3656439 0.70 ADORA2A (0.42) ADORA2AADORA1
SCHEMBL3655720 0.68 ADORA2A (0.41) ADORA2AADORA1
SCHEMBL11854057 0.68 ALOX15 (0.51)
SCHEMBL20785461 0.68 GLP1R (0.44)
SCHEMBL20784412 0.68 CNR1 (0.36) ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028097-B2 Thienopyrimidine compounds VERNALIS (R&D) LIMITED (GB) 2021-06-08 US disclosed
US-11028097-B2 Thienopyrimidine compounds VERNALIS (R&D) LIMITED (GB) 2021-06-08 US disclosed
US-20200140455-A1 Thienopyrimidine Compounds VERNALIS DEVELOPMENT LIMITED (GB) 2020-05-07 US disclosed
US-20200140455-A1 Thienopyrimidine Compounds VERNALIS DEVELOPMENT LIMITED (GB) 2020-05-07 US disclosed
US-10556911-B2 Thienopyrimidine compounds VERNALIS (R&D) LTD. (GB) 2020-02-11 US disclosed
US-10556911-B2 Thienopyrimidine compounds VERNALIS (R&D) LTD. (GB) 2020-02-11 US disclosed
US-20180162872-A1 Thienopyrimidine Compounds VERNALIS DEVELOPMENT LIMITED (GB) 2018-06-14 US disclosed
US-20180162872-A1 Thienopyrimidine Compounds VERNALIS DEVELOPMENT LIMITED (GB) 2018-06-14 US disclosed
US-20180162872-A1 Thienopyrimidine Compounds VERNALIS DEVELOPMENT LIMITED (GB) 2018-06-14 US disclosed
US-9920066-B2 Thienopyrimidine compounds VERNALIS (R&D) LTD. (GB) 2018-03-20 US disclosed
US-20150342953-A1 Thienopyrimidine Compounds VERNALIS DEVELOPMENT LIMITED (GB) 2015-12-03 US disclosed
US-9120807-B2 Thienopyrimidine compounds VERNALIS (R&D) LTD. (GB) 2015-09-01 US disclosed
US-9120807-B2 Thienopyrimidine compounds VERNALIS (R&D) LTD. (GB) 2015-09-01 US disclosed
US-9120807-B2 Thienopyrimidine compounds VERNALIS (R&D) LTD. (GB) 2015-09-01 US disclosed
US-20110118284-A1 THIENOPYRIMIDINE COMPOUNDS VERNALIS (R&D) LTD. (GB) 2011-05-19 US disclosed
US-20110118284-A1 THIENOPYRIMIDINE COMPOUNDS VERNALIS (R&D) LTD. (GB) 2011-05-19 US disclosed
US-20110118284-A1 THIENOPYRIMIDINE COMPOUNDS VERNALIS (R&D) LTD. (GB) 2011-05-19 US disclosed
EP-2205607-A1 THIENOPYRIMIDINE COMPOUNDS Vernalis (R&D) Ltd. (GB) 2010-07-14 EP disclosed
WO-2009037463-A1 THIENOPYRIMIDINE COMPOUNDS VERNALIS (R & D) LTD. (GB) 2009-03-26 WO disclosed
WO-2009037463-A1 THIENOPYRIMIDINE COMPOUNDS VERNALIS (R & D) LTD. (GB) 2009-03-26 WO 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-20180162872-A1 Thienopyrimidine Compounds ADORA2B, TBXA2R, ADORA2A ADORA2A 3/4885ADORA2B 1/4885ADORA1 12/4885
US-20110118284-A1 THIENOPYRIMIDINE COMPOUNDS ADORA2B, TBXA2R, ADORA2A ADORA2A 3/4885ADORA2B 1/4885ADORA1 12/4885
US-11028097-B2 Thienopyrimidine compounds ADORA2B, TBXA2R, ADORA2A ADORA2A 3/4885ADORA2B 1/4885ADORA1 12/4885
US-10556911-B2 Thienopyrimidine compounds ADORA2B, TBXA2R, ADORA2A ADORA2A 3/4885ADORA2B 1/4885ADORA1 12/4885
US-20200140455-A1 Thienopyrimidine Compounds ADORA2B, TBXA2R, ADORA2A ADORA2A 3/4885ADORA2B 1/4885ADORA1 12/4885
US-20150342953-A1 Thienopyrimidine Compounds ADORA2B, TBXA2R, ADORA2A ADORA2A 3/4885ADORA2B 1/4885ADORA1 12/4885

“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.