SCHEMBL7902896

SCHEMBL7902896

CS(=O)(=O)OCc1c([N+](=O)[O-])ccc(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
VCAM1 P19320 14/20 0.42
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL6961763 0.88 TDP1 (0.49) TDP1VCAM1ALDH1A1TSHRMAPK1
SCHEMBL5711756 0.80 TDP1 (0.46) TDP1ALDH1A1TSHRMAPK1MAPT
SCHEMBL4301275 0.77 VCAM1 (0.49) VCAM1ALDH1A1POLB
SCHEMBL5906064 0.77 TSHR (0.47) VCAM1ALDH1A1TSHRMAPK1MAPT
SCHEMBL273093 0.76 TDP1 (0.60) TDP1VCAM1ALDH1A1TSHRMAPK1
SCHEMBL6641853 0.75 TSHR (0.41) TDP1ALDH1A1TSHRMAPK1MAPT
SCHEMBL6640062 0.74 TUBB4A (0.43) TDP1ALDH1A1MAPK1MAPT
SCHEMBL278504 0.74 TDP1 (0.62) TDP1VCAM1ALDH1A1TSHRMAPK1
SCHEMBL2474011 0.74 TDP1 (0.53) TDP1VCAM1ALDH1A1TSHRMAPK1
SCHEMBL8562208 0.73 TSHR (0.43) VCAM1ALDH1A1TSHRMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067944-B2 Process for the preparation of anagrelide and analogues thereof SHIRE LLC (US) 2015-06-30 US disclosed
US-9067944-B2 Process for the preparation of anagrelide and analogues thereof SHIRE LLC (US) 2015-06-30 US disclosed
US-8530651-B2 Process for the preparation of anagrelide and analogues SHIRE LLC (US) 2013-09-10 US disclosed
US-8530651-B2 Process for the preparation of anagrelide and analogues SHIRE LLC (US) 2013-09-10 US disclosed
US-20130211083-A1 PROCESS FOR THE PREPARATION OF ANAGRELIDE AND ANALOGUES THEREOF SHIRE LLC (US) 2013-08-15 US disclosed
US-20130211083-A1 PROCESS FOR THE PREPARATION OF ANAGRELIDE AND ANALOGUES THEREOF SHIRE LLC (US) 2013-08-15 US disclosed
US-8304420-B2 prodrug of platelet lowering agent anagrelide, especially 3-and 5-substituted analogues with reduced potential for cardiovascular side-effects and better absorption from the GI tract; imidazo[2,1-b]quinazolin-2-one derivatives; megakaryocytopoeisis inhibitor; anticoagulant, antiproliferative agents SHIRE LLC (US) 2012-11-06 US disclosed
US-20110263850-A1 PROCESS FOR THE PREPARATION OF ANAGRELIDE AND ANALOGUES SHIRE LLC (US) 2011-10-27 US disclosed
US-20110263850-A1 PROCESS FOR THE PREPARATION OF ANAGRELIDE AND ANALOGUES SHIRE LLC (US) 2011-10-27 US disclosed
WO-2010070318-A1 PROCESS FOR THE PREPARATION OF ANAGRELIDE AND ANALOGUES SHIRE LLC (US) 2010-06-24 WO disclosed
US-20080176875-A1 SUBSTITUTED QUINAZOLINES SHIRE LLC (US) 2008-07-24 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 (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-20080176875-A1 SUBSTITUTED QUINAZOLINES MPL, ABL1, PDGFRA TDP1 1109/4885VCAM1 844/4885ALDH1A1 1261/4885
US-20110263850-A1 PROCESS FOR THE PREPARATION OF ANAGRELIDE AND ANALOGUES CIAPIN1, QDPR, THPO TDP1 555/4885VCAM1 873/4885ALDH1A1 900/4885
US-20130211083-A1 PROCESS FOR THE PREPARATION OF ANAGRELIDE AND ANALOGUES THEREOF CIAPIN1, QDPR, CYP51A1 TDP1 1113/4885VCAM1 2199/4885ALDH1A1 1392/4885

“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.