SCHEMBL1620535

SCHEMBL1620535

O=C(Nc1cnccn1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
TSHR P16473 2/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 5/20 0.47
DYRK3 O43781 3/20 0.45
PRKD3 O94806 3/20 0.45
MAP4K4 O95819 3/20 0.45
CDK2 P24941 3/20 0.45
CLK2 P49760 3/20 0.45

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
SCHEMBL1366867 0.82 XPO1 (0.43) KMT2ATSHRALOX15CASP1NPSR1
SCHEMBL4229894 0.81 RAB9A (0.58) KMT2ATSHRRAB9ANPC1TP53
SCHEMBL10672139 0.81 KMT2A (0.54) KMT2ATSHRALOX15CASP1NPSR1
SCHEMBL5381046 0.78 KDM4E (0.69) KMT2ARAB9ANPC1MAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL28718945 0.77 TSHR (0.45) KMT2ATSHRALOX15CASP1NPSR1
SCHEMBL30593991 0.76 RAB9A (0.57) KMT2ATSHRRAB9ANPC1TP53
SCHEMBL1934753 0.76 RAB9A (0.57) KMT2ATSHRRAB9ANPC1TP53
SCHEMBL14420992 0.76 RAB9A (0.52) KMT2ATSHRRAB9ANPC1TP53
SCHEMBL1618897 0.75 TSHR (0.43) KMT2ATSHRALOX15CASP1NPSR1
SCHEMBL1618896 0.75 TSHR (0.43) KMT2ATSHRALOX15CASP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111635407-B Synthesis process of PARP inhibitor fluxaparide intermediate 上海再启生物技术有限公司 2021-08-06 CN disclosed
CN-111635407-A Synthesis process of PARP inhibitor fluxaparide intermediate 上海再启生物技术有限公司 2020-09-08 CN disclosed
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
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 KMT2A 3101/4885TSHR 3078/4885ALOX15 2974/4885
US-20060014953-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 KMT2A 2953/4885TSHR 4702/4885ALOX15 1841/4885
US-20100324054-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 KMT2A 3176/4885TSHR 3840/4885ALOX15 1392/4885
US-20110224195-A1 HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 KMT2A 2403/4885TSHR 3814/4885ALOX15 1232/4885

“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.