SCHEMBL443749

SCHEMBL443749

CC(C)n1cc2cc(I)ccc2n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 1/20 0.35
NOTUM Q6P988 1/20 0.33
PIK3CD O00329 1/20 0.32
PIP5K1C O60331 1/20 0.32
PIK3CA P42336 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
HDAC8 Q9BY41 3/20 0.32
NOS1 P29475 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL12730005 0.80 CYP1A2 (0.41) SLC5A2NOTUMADORA2AADORA1
SCHEMBL14126107 0.79 HDAC8 (0.48) SLC5A2NOTUMHDAC8
SCHEMBL12269120 0.79 NPC1 (0.40) SLC5A2NOTUMPIK3CDPIP5K1CPIK3CA
SCHEMBL22021599 0.76 SLC5A2 (0.43) SLC5A2NOTUMHDAC8
SCHEMBL509892 0.76 KDM4E (0.49) NOTUMNOS1
SCHEMBL15971092 0.75 SLC5A2 (0.47) SLC5A2NOTUMPIK3CDPIK3CAPIK3CG
SCHEMBL7755891 0.73 HDAC8 (0.44) NOTUMADORA2AADORA1HDAC8
SCHEMBL12250993 0.72 MAPT (0.50)
SCHEMBL15723847 0.72 NOTUM (0.40) SLC5A2NOTUMADORA2AADORA1
SCHEMBL29141451 0.71 SLC5A2 (0.35) SLC5A2NOTUMPIK3CDPIK3CAPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
CN-101611015-B Indazolyl ester and indazolyl amide derivatives for the treatment of glucocorticoid receptor mediated disorders ASTRAZENECA AB SE 2012-09-26 CN disclosed
EP-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
CN-101646654-B Indazolyl sulfonamide derivatives useful as glucocorticoid modulators ASTRAZENECA AB 2012-03-28 CN disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
US-8030340-B2 Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-10-04 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
CN-101646654-A Indazolyl sulfonamide derivatives useful as glucocorticoid modulators ASTRAZENECA AB SE 2010-02-10 CN disclosed
CN-101611015-A Indazolyl ester and indazolyl amide derivatives for the treatment of glucocorticoid receptor mediated disorders ASTRAZENECA AB (SE) 2009-12-23 CN disclosed
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
EP-2097384-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS AstraZeneca AB (SE) 2009-09-09 EP disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008063116-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2008-05-29 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 (6 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 SLC5A2 766/4885NOTUM 588/4885PIK3CD 637/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 SLC5A2 766/4885NOTUM 588/4885PIK3CD 637/4885
US-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R SLC5A2 222/4885NOTUM 3178/4885PIK3CD 1808/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 SLC5A2 766/4885NOTUM 588/4885PIK3CD 637/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R SLC5A2 214/4885NOTUM 3229/4885PIK3CD 1804/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 SLC5A2 766/4885NOTUM 588/4885PIK3CD 637/4885

“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.