SCHEMBL2089179

SCHEMBL2089179

CC(C)(C)OC(=O)C(CO[Si](C)(C)C(C)(C)C)NN

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.35
POLB P06746 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 5/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 1/20 0.33
XBP1 P17861 1/20 0.33
RECQL P46063 1/20 0.33
BTN3A1 O00481 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 2/20 0.31
ITGA4 P13612 1/20 0.30
ITGB7 P26010 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL5548849 0.80 CTSK (0.34) TDP1POLBNPSR1MAPTKMT2A
SCHEMBL4217873 0.78 NOS1 (0.33) KMT2ABTN3A1
SCHEMBL22711284 0.78 CTSS (0.41)
SCHEMBL19560808 0.78 CTSS (0.41)
SCHEMBL3617063 0.77 CTSK (0.41)
SCHEMBL3617062 0.77 CTSK (0.41)
SCHEMBL4745237 0.77 CTSK (0.41)
SCHEMBL18104869 0.77 CTSK (0.40)
SCHEMBL9691674 0.76 CTSK (0.40)
SCHEMBL3545331 0.75 TDP1 (0.40) TDP1POLBNPSR1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799653-B1 Condensed thienopyrimidine derivatives for the treatment of cancer BAYER IP GMBH (DE) 2013-03-20 EP disclosed
US-8207172-B2 Pyrimidinothienoindazoles useful for the treatment of hyperproliferative disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-26 US disclosed
US-20110172224-A1 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2011-07-14 US disclosed
US-20110053928-A1 PYRIMIDOTHIENOINDAZOLES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-03 US disclosed
EP-1819711-B1 PYRIMIDOTHIENOINDAZOLES CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR BAYER SCHERING PHARMA AG (DE) 2010-04-21 EP disclosed
US-20090186887-A1 NOVEL PYRIMIDOTHIENOINDAZOLES BAYER PHARMACEUTICALS CORPORATION (US) 2009-07-23 US disclosed
US-7511048-B2 Pyrimidothienoindazoles BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
US-20070299066-A1 Novel Pyrimidothienoindazoles BAYER PHAMACEUTICALS CORPORATION (US) 2007-12-27 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 (4 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-20070299066-A1 Novel Pyrimidothienoindazoles CCNI, TPMT, TYMP TDP1 1002/4885POLB 213/4885NPSR1 4512/4885
US-20110053928-A1 PYRIMIDOTHIENOINDAZOLES CCNI, TPMT, TYMP TDP1 524/4885POLB 140/4885NPSR1 4293/4885
US-20110172224-A1 NOVEL HETEROCYCLES CCNI, PCNA, CCNA1 TDP1 1477/4885POLB 277/4885NPSR1 3764/4885
US-20090186887-A1 NOVEL PYRIMIDOTHIENOINDAZOLES CCNI, TPMT, TYMP TDP1 1002/4885POLB 213/4885NPSR1 4512/4885

“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.