SCHEMBL1618897

SCHEMBL1618897

ON=C(Nc1cnccn1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KDM4E B2RXH2 5/20 0.39
DYRK3 O43781 3/20 0.38
PRKD3 O94806 3/20 0.38
MAP4K4 O95819 3/20 0.38
CDK2 P24941 3/20 0.38
CLK2 P49760 3/20 0.38

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
SCHEMBL1618896 1.00 TSHR (0.43) TSHRALOX15CASP1NPSR1HSD17B10
SCHEMBL4230277 0.83 RAB9A (0.48) TSHRKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4230279 0.83 RAB9A (0.48) TSHRKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL1620535 0.75 KMT2A (0.51) TSHRALOX15CASP1NPSR1HSD17B10
SCHEMBL4235082 0.73 RAB9A (0.45) TSHRKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4235081 0.73 RAB9A (0.45) TSHRKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL24329669 0.69 KMT2A (0.49) TSHRKMT2ARAB9ANPC1MAPT
Trifluoroacetic Acid SCHEMBL28718945 0.68 TSHR (0.45) TSHRALOX15CASP1NPSR1HSD17B10
SCHEMBL2036694 0.67 ALDH1A1 (0.42) TSHRALOX15CASP1NPSR1HSD17B10
SCHEMBL5381046 0.67 KDM4E (0.69) KMT2ARAB9ANPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653059-B2 Heterocyclic compounds as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
EP-2019677-B1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
EP-1761532-B1 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2013-04-10 EP disclosed
US-20110224195-A1 HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-7928112-B2 Substituted 5,6,7,8-tetrahydropyrido[4,3-D]pyrimidines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2011-04-19 US disclosed
US-20100324054-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2010-12-23 US disclosed
US-7812027-B2 Substitued [1,2,4]triazolo[1,5-a]pyrazines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-10-12 US disclosed
EP-1784188-B1 FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-07-14 EP disclosed
EP-2190428-A1 HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck Sharp & Dohme Corp. (US) 2010-06-02 EP disclosed
US-7625888-B2 Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME CORP. 2007-09-06 US disclosed
EP-1554280-B1 ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO INC (US) 2007-08-15 EP disclosed
EP-1784188-A2 FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2007-05-16 EP disclosed
EP-1761532-A1 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2007-03-14 EP disclosed
EP-1554280-A4 ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO INC (US) 2006-07-05 EP disclosed
WO-2006023750-A2 FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-03-02 WO disclosed
WO-2006009886-A1 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-01-26 WO disclosed
US-20060014953-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-01-19 US disclosed
EP-1554280-A2 ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS Merck & Co., Inc. (US) 2005-07-20 EP disclosed
WO-2004032836-A2 ANTIDIABETIC BETA-AMINO HETEROCYLCIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO., INC. (US) 2004-04-22 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 (4 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-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 TSHR 3078/4885ALOX15 2974/4885CASP1 845/4885
US-20060014953-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 TSHR 4702/4885ALOX15 1841/4885CASP1 1174/4885
US-20100324054-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 TSHR 3840/4885ALOX15 1392/4885CASP1 1749/4885
US-20110224195-A1 HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 TSHR 3814/4885ALOX15 1232/4885CASP1 1266/4885

“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.