SCHEMBL4464947

SCHEMBL4464947

Cc1ccc(S(=O)(=O)C(NC=O)c2cccc(I)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.34
NPY2R P49146 1/20 0.34
RAPGEF4 Q8WZA2 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
TLR9 Q9NR96 1/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
CYTH2 Q99418 1/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL4796154 0.84 EGFR (0.41) CYP19A1NPY2RCA12CA1CA2
SCHEMBL4801050 0.83 RAPGEF4 (0.40) RAPGEF4CA12CA1CA2CA9
SCHEMBL989351 0.83 NPY2R (0.44) NPY2RCA12CA1CA2CA9
SCHEMBL21797170 0.81 TLR9 (0.41) RAPGEF4CA12CA1CA2CA9
SCHEMBL5741463 0.77 KMT2A (0.40) RAPGEF4CA12CA1CA2CA9
SCHEMBL22858205 0.76 PTGS2 (0.36) RAPGEF4CA12CA1CA2CA9
SCHEMBL6423000 0.75 TP53 (0.43) TP53GAAALDH1A1HTT
SCHEMBL4798346 0.75 KMT2A (0.41) CA12CA1CA2CA9CYP2C9
SCHEMBL16055972 0.75 UTS2R (0.43) CA12CA1CA2CA9CYP2C9
SCHEMBL16819842 0.75 HSD17B2 (0.36) RAPGEF4CA12CA1CA2CA9

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 CYP19A1 3128/4885NPY2R 102/4885RAPGEF4 4434/4885
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR CYP19A1 1603/4885NPY2R 159/4885RAPGEF4 4715/4885

“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.