SCHEMBL9923716

SCHEMBL9923716

c1cnc2c(c1)-c1nc[nH]c1CO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ACVR1 Q04771 1/20 0.33
PDK2 Q15119 1/20 0.33
S100A4 P26447 1/20 0.33
CDC25B P30305 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
ABL1 P00519 1/20 0.32
PLCG1 P19174 1/20 0.32
CES1 P23141 1/20 0.32
PAX8 Q06710 1/20 0.32
RIN1 Q13671 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 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
SCHEMBL9923714 0.79
SCHEMBL9923722 0.77 ALDH1A1 (0.43) ALDH1A1POLBRXFP1THRBKMT2A
SCHEMBL9923709 0.76
SCHEMBL9923728 0.75 AXL (0.34) TDP1KDM4EGMNNLMNATP53
SCHEMBL9923719 0.75 NISCH (0.34) KDM4ECYP3A4MAPTSMN1; SMN2
SCHEMBL9923706 0.74
SCHEMBL13845114 0.72 TDP1 (0.37) PDK2S100A4CDC25BTDP1TDP2
SCHEMBL9923713 0.70 KMT2A (0.37) ALDH1A1POLBRXFP1PDK2S100A4
SCHEMBL32677306 0.70 KMT2A (0.33) S100A4CDC25BTDP1TDP2NSD2
SCHEMBL9923720 0.70 AAK1 (0.34)

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9687494-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-9687494-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-12-22 US disclosed
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-12-22 US disclosed
US-9475785-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-10-25 US disclosed
US-9475785-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-10-25 US disclosed
US-9428475-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-08-30 US disclosed
US-9428475-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-08-30 US disclosed
US-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use MERCK SHARP & DOHME CORP. (US) 2015-10-29 US disclosed
US-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use MERCK SHARP & DOHME CORP. (US) 2015-10-29 US disclosed
US-8569310-B2 Pentafluorosulfur imino heterocyclic compounds as BACE-1 inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-8569310-B2 Pentafluorosulfur imino heterocyclic compounds as BACE-1 inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 US disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 US disclosed
US-8557826-B2 Pentafluorosulfur imino heterocyclic compounds as BACE-1 inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-8557826-B2 Pentafluorosulfur imino heterocyclic compounds as BACE-1 inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-20120195881-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE SCHERING CORPORATION (US) 2012-08-02 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
US-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-06-14 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 (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-20120195881-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, APP, BACE2 ALDH1A1 328/4885POLB 1989/4885RXFP1 2976/4885
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP ALDH1A1 627/4885POLB 663/4885RXFP1 3384/4885
US-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use BACE1, BACE2, APP ALDH1A1 752/4885POLB 762/4885RXFP1 3623/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP ALDH1A1 744/4885POLB 695/4885RXFP1 3345/4885
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 ALDH1A1 1438/4885POLB 681/4885RXFP1 3109/4885
US-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 ALDH1A1 487/4885POLB 1285/4885RXFP1 316/4885

“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.