SCHEMBL760559

SCHEMBL760559

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.50
CSNK2A2 P19784 2/20 0.50
CSNK2B P67870 2/20 0.50
CSNK2A1 P68400 2/20 0.50
KDR P35968 1/20 0.50
PAK4 O96013 1/20 0.42
AKT1 P31749 1/20 0.42
PLK1 P53350 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 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
SCHEMBL13125847 0.87 CSNK2A2 (0.55) HSP90AB1CSNK2A2CSNK2BCSNK2A1KDR
SCHEMBL1424692 0.85 HSP90AB1 (0.47) HSP90AB1ALDH1A1HPGDKDM4EMAPT
SCHEMBL27663682 0.84 HSP90AB1 (0.55) HSP90AB1ALDH1A1KDM4EMAPTCCNC
SCHEMBL18750388 0.83 HSP90AB1 (0.54) HSP90AB1CSNK2A2CSNK2BCSNK2A1KDR
SCHEMBL1753901 0.82 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1KDRPAK4
SCHEMBL14611037 0.81 CSNK2A2 (0.46) HSP90AB1CSNK2A2CSNK2BCSNK2A1KDR
SCHEMBL1753899 0.81 CSNK2A2 (0.49) CSNK2A2CSNK2BCSNK2A1KDRPAK4
SCHEMBL1937266 0.78 ABL1 (0.52) CSNK2A2CSNK2BCSNK2A1KDRPAK4
SCHEMBL13109542 0.77 CSNK2A1 (0.58) HSP90AB1CSNK2A2CSNK2BCSNK2A1KDR
SCHEMBL5254463 0.76 ABL1 (0.53) HSP90AB1CSNK2A2CSNK2BCSNK2A1KDR

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 31 patents — showing the first 20. 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-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 WO disclosed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 WO disclosed
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 US disclosed
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 US disclosed
EP-1755610-A2 THIENOPYRIMIDINES AND THIAZOLOPYRIMIDINES FOR USE IN MEDICINE AstraZeneca AB (SE) 2007-02-28 EP 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
EP-1675861-A1 PYRIMIDOTHIOPHENE COMPOUNDS Vernalis (Cambridge) Limited (GB) 2006-07-05 EP disclosed
WO-2005117890-A2 THIENOPYRIMIDINES AND THIAZOLOPYRIMIDINES FOR USE IN MEDICINE ASTRAZENECA AB (SE) 2005-12-15 WO 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 (3 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-20070043044-A1 Pyrimidothiophene compounds ALK, HSP90AA1, HSP90AB1 HSP90AB1 3/4885CSNK2A2 891/4885CSNK2B 1421/4885
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine CXCR4, CXCR1, CXCR3 HSP90AB1 3621/4885CSNK2A2 2087/4885CSNK2B 2576/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 HSP90AB1 1599/4885CSNK2A2 1148/4885CSNK2B 945/4885

“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.