SCHEMBL3322176

SCHEMBL3322176

COC(=O)c1cc2c(NCc3ccccc3)nc(N)nc2s1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.50
HSP90AB1 P08238 1/20 0.47
CSNK2A2 P19784 2/20 0.47
PLK1 P53350 2/20 0.47
CSNK2B P67870 2/20 0.47
CSNK2A1 P68400 2/20 0.47
PAK4 O96013 1/20 0.47
AKT1 P31749 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
KDR P35968 2/20 0.45
EGFR P00533 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13109674 0.87 HSP90AB1 (0.52) APPHSP90AB1CSNK2A2PLK1CSNK2B
SCHEMBL13109542 0.83 CSNK2A1 (0.58) HSP90AB1CSNK2A2PLK1CSNK2BCSNK2A1
SCHEMBL13109563 0.78 ALDH1A1 (0.46) HSP90AB1CSNK2A2PLK1CSNK2BCSNK2A1
SCHEMBL13125847 0.75 CSNK2A2 (0.55) HSP90AB1CSNK2A2PLK1CSNK2BCSNK2A1
SCHEMBL5254463 0.75 ABL1 (0.53) HSP90AB1CSNK2A2PLK1CSNK2BCSNK2A1
SCHEMBL13109574 0.75 MAPT (0.51) HSP90AB1CSNK2A2PLK1CSNK2BCSNK2A1
SCHEMBL760559 0.74 HSP90AB1 (0.50) HSP90AB1CSNK2A2PLK1CSNK2BCSNK2A1
SCHEMBL14611037 0.72 CSNK2A2 (0.46) HSP90AB1CSNK2A2PLK1CSNK2BCSNK2A1
SCHEMBL8185671 0.72 CYP1A2 (0.53) KDM4EALDH1A1HPGDCRHBPCRHR2
SCHEMBL13109576 0.72 HSP90AB1 (0.46) HSP90AB1KDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675861-B1 PYRIMIDOTHIOPHENE COMPOUNDS VERNALIS R&D LTD (GB) 2015-12-23 EP disclosed
EP-1675861-B1 PYRIMIDOTHIOPHENE COMPOUNDS VERNALIS R&D LTD (GB) 2015-12-23 EP disclosed
US-8642594-B2 Substituted thieno[2,3-d]pyrimidines as HSP90 inhibitors VERNALIS (R&D) LIMITED (GB) 2014-02-04 US disclosed
US-8642594-B2 Substituted thieno[2,3-d]pyrimidines as HSP90 inhibitors VERNALIS (R&D) LIMITED (GB) 2014-02-04 US disclosed
US-8642594-B2 Substituted thieno[2,3-d]pyrimidines as HSP90 inhibitors VERNALIS (R&D) LIMITED (GB) 2014-02-04 US disclosed
US-7820658-B2 Substituted thieno[2,3-d]pyrimidines as HSP90 inhibitors VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-10-26 US disclosed
US-7820658-B2 Substituted thieno[2,3-d]pyrimidines as HSP90 inhibitors VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-10-26 US disclosed
US-7820658-B2 Substituted thieno[2,3-d]pyrimidines as HSP90 inhibitors VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-10-26 US disclosed
US-20100120767-A1 Pyrimidothiophene Compounds Barril-Alonso, Xavier (GB) 2010-05-13 US disclosed
US-20100120767-A1 Pyrimidothiophene Compounds Barril-Alonso, Xavier (GB) 2010-05-13 US disclosed
US-20100120767-A1 Pyrimidothiophene Compounds Barril-Alonso, Xavier (GB) 2010-05-13 US disclosed
CN-100455586-C Pyrimidothiophene compounds VERNALIS CAMBRIDGE LTD (GB) 2009-01-28 CN disclosed
US-20070043044-A1 Pyrimidothiophene compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-02-22 US disclosed
US-20070043044-A1 Pyrimidothiophene compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-02-22 US disclosed
US-20070043044-A1 Pyrimidothiophene compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-02-22 US disclosed
CN-1842532-A Pyrimidothiophene compounds VERNALIS CAMBRIDGE LTD (GB) 2006-10-04 CN disclosed
EP-1675861-A1 PYRIMIDOTHIOPHENE COMPOUNDS Vernalis (Cambridge) Limited (GB) 2006-07-05 EP disclosed
WO-2005021552-A1 PYRIMIDOTHIOPHENE COMPOUNDS VERNALIS (CAMBRIDGE) LTD (GB) 2005-03-10 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 (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-20100120767-A1 Pyrimidothiophene Compounds ALK, HSP90AA1, HSP90AB1 APP 3320/4885HSP90AB1 3/4885CSNK2A2 745/4885
US-20070043044-A1 Pyrimidothiophene compounds ALK, HSP90AA1, HSP90AB1 APP 2992/4885HSP90AB1 3/4885CSNK2A2 891/4885

“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.