SCHEMBL4098622

SCHEMBL4098622

Nc1nc(-c2ccccc2)c2ccsc2n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.57
NUDT1 P36639 1/20 0.56
ADORA1 P30542 10/20 0.46
ADORA2B P29275 2/20 0.46
HSP90AB1 P08238 1/20 0.44
DHODH Q02127 1/20 0.42
POLB P06746 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL16685612 0.81 ADORA2A (0.68) ADORA2AADORA1ADORA2BDHODHPOLB
SCHEMBL16613449 0.79 ALDH1A1 (0.52) ADORA2ANUDT1ADORA1DHODHADORA3
SCHEMBL16613467 0.77 ALDH1A1 (0.49) ADORA2AADORA1DHODH
SCHEMBL11863107 0.76 PRNP (0.51) ADORA2AADORA1DHODHADORA3
SCHEMBL2369026 0.74 ADORA2A (0.58) ADORA2AADORA1HSP90AB1CSNK1A1CLK4
SCHEMBL30373476 0.74 ADORA2A (0.58) ADORA2AADORA1HSP90AB1CSNK1A1CLK4
SCHEMBL2368763 0.72 ADORA2A (1.00) ADORA2AADORA1ADORA2BPOLBADORA3
SCHEMBL30341167 0.72 SMN1; SMN2 (0.49) ADORA2AADORA1DHODH
SCHEMBL16613484 0.72 ADORA2A (0.42) ADORA2ANUDT1ADORA1DHODHPOLB
SCHEMBL421987 0.72 ADORA2A (1.00) ADORA2ANUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780343-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2014-09-24 EP disclosed
EP-2036895-B9 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-07-10 EP disclosed
WO-2013072694-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2013-05-23 WO disclosed
EP-2036895-B1 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-16 EP disclosed
US-8193351-B2 HSP90 inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-05 US disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
CN-101495460-A HSP90 inhibitor CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-07-29 CN disclosed
EP-2036895-A1 HSP90 INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-03-18 EP disclosed
CN-100455586-C Pyrimidothiophene compounds VERNALIS CAMBRIDGE LTD (GB) 2009-01-28 CN disclosed
CN-1842532-A Pyrimidothiophene compounds VERNALIS CAMBRIDGE LTD (GB) 2006-10-04 CN 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-20090247524-A1 HSP90 Inhibitor HSP90AB1, HSP90B1, HSP90AA1 ADORA2A 4662/4885NUDT1 3285/4885ADORA1 4666/4885

“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.