SCHEMBL4464950

SCHEMBL4464950

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
SCN2A Q99250 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
LMNA P02545 3/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
NPY2R P49146 1/20 0.35
HPN P05981 2/20 0.35
CA3 P07451 1/20 0.35

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
SCHEMBL4796158 0.83 EGFR (0.45) CYP2D6MAPK1ALDH1A1GAACA12
SCHEMBL4801052 0.82 ALDH1A1 (0.42) CYP2D6MAPK1ALDH1A1GAACA12
SCHEMBL4983476 0.82 CYP2D6 (0.51) CYP2D6MAPK1ALDH1A1GAACA12
SCHEMBL4473496 0.76 NPY2R (0.36) CYP2D6MAPK1GAACA12CA1
SCHEMBL13960640 0.76 TP53 (0.36) CYP2D6SCN2AALDH1A1GAACA12
SCHEMBL4798350 0.74 KMT2A (0.44) ALDH1A1GAACA12CA1CA2
SCHEMBL20550796 0.74 ALDH1A1 (0.47) MAPK1ALDH1A1GAALMNAHTT
SCHEMBL7096179 0.74 KMT2A (0.44) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL4464947 0.73 CYP19A1 (0.34) CYP2D6ALDH1A1GAACA12CA1
SCHEMBL30716686 0.73 MEN1 (0.44) ALDH1A1CA2LMNAHTTSMN1; SMN2

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 CYP2D6 1776/4885MAPK1 678/4885SCN2A 3108/4885
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR CYP2D6 579/4885MAPK1 2106/4885SCN2A 2569/4885

“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.