SCHEMBL4473496

SCHEMBL4473496

[C-]#[N+]C(c1cccc(I)c1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.36
GAA P10253 1/20 0.34
HTR2C P28335 1/20 0.33
HTR6 P50406 1/20 0.33
C5AR1 P21730 1/20 0.33
CYP19A1 P11511 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAPGEF4 Q8WZA2 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL5837673 0.87 HTT (0.41) NPY2RGAAC5AR1CYP19A1HTT
SCHEMBL30716693 0.83 CES2 (0.37) NPY2RCA1CA2CA12CA9
SCHEMBL5851624 0.83 MAPT (0.44) NPY2RGAATDP1CYP2D6TP53
SCHEMBL571272 0.83 EGFR (0.40) NPY2RGAAC5AR1CYP19A1CA1
SCHEMBL29952039 0.83 MAPT (0.44) NPY2RGAATDP1CYP2D6TP53
SCHEMBL4833791 0.83 CES2 (0.37) NPY2RCA1CA2CA12CA9
SCHEMBL29951303 0.82 CYP19A1 (0.40) NPY2RCYP19A1L3MBTL1CA12CA9
SCHEMBL4802706 0.82 RAPGEF4 (0.39) NPY2RGAAHTTRAPGEF4CA1
SCHEMBL408195 0.82 NPY2R (0.47) NPY2RGAAC5AR1HTTTDP1
SCHEMBL1307531 0.81 MAPT (0.46) HTTTDP1L3MBTL1TP53MAPT

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
US-7476677-B2 Substituted thieno- and thiazolo- [2,3-d]pyrimidines and [2,3-c]pyridines as inhibitors of Tie2 ASTRAZENECA AB (SE) 2009-01-13 US disclosed
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1716155-B1 SUBSTITUTED THIENO- AND THIAZOLO[2,3-D]PYRIMIDINES AND [2,3-C]PYRIDINES AS INHIBITORS OF TIE2 ASTRAZENECA AB (SE) 2008-02-27 EP disclosed
US-20070135455-A1 Substituted thieno- and thiazolo- [2,3-d]pyrimidines and [2,3-c]pyridines as inhibitors of tie2 ASTRA ZENECA AB (SE) 2007-06-14 US disclosed
EP-1716155-A1 SUBSTITUTED THIENO¬2,3-D|PYRIMIDINES AS INHIBITORS OF TIE2 AstraZeneca AB (SE) 2006-11-02 EP disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US disclosed
WO-2005075483-A1 SUBSTITUTED THIENO - AND THIAZOLO - [2, 3-D] PYRIDINES AS INHIBITORS OF TIE2 ASTRAZENECA AB (SE) 2005-08-18 WO disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 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-20070135455-A1 Substituted thieno- and thiazolo- [2,3-d]pyrimidines and [2,3-c]pyridines as inhibitors of tie2 TIE1, TEK, TEKT1 NPY2R 102/4885GAA 4361/4885HTR2C 175/4885
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR NPY2R 159/4885GAA 4572/4885HTR2C 750/4885

“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.