SCHEMBL648146

SCHEMBL648146

NCCNc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
POLB P06746 3/20 0.63
HTT P42858 3/20 0.63
ALDH1A1 P00352 5/20 0.61
RAB9A P51151 4/20 0.61
TDP1 Q9NUW8 2/20 0.61
LMNA P02545 2/20 0.61
JAK2 O60674 1/20 0.61
HSP90AA1 P07900 1/20 0.61
PKM P14618 1/20 0.61
MC4R P32245 1/20 0.61
CCR6 P51684 1/20 0.61
CACNA1B Q00975 1/20 0.61
APBA1 Q02410 1/20 0.61
TLR9 Q9NR96 1/20 0.61
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
GAA P10253 5/20 0.54
NPC1 O15118 2/20 0.54

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
SCHEMBL22809623 0.91 MEN1 (0.64) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL22809500 0.88 MEN1 (0.50) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL13197581 0.84 POLB (0.67) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL22809456 0.83 POLB (0.69) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL12315723 0.82 POLB (0.64) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL3370447 0.81 L3MBTL1 (0.63) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL2006353 0.81 MEN1 (0.58) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL30149975 0.81 L3MBTL1 (0.63) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL13970642 0.81 POLB (0.62) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL13781496 0.80 POLB (0.61) MEN1KMT2APOLBHTTALDH1A1

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-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers RAQUALIA PHARMA INC. (JP) 2021-10-26 US disclosed
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 EP disclosed
EP-2281810-B1 AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF SINOCHEM CORP (CN) 2014-02-19 EP disclosed
US-8637546-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DDP-IV) ABBVIE INC. (US) 2014-01-28 US disclosed
US-8455398-B2 Amide compounds, preparation methods and uses thereof SINOCHEM CORPORATION (CN) 2013-06-04 US disclosed
US-20130059873-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC. 2013-03-07 US disclosed
US-8119664-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
US-20110046152-A1 Amide Compounds, Preparation Methods and Uses Thereof SINOCHEM CORPORATION 2011-02-24 US disclosed
EP-2281810-A1 AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF Sinochem Corporation (CN) 2011-02-09 EP disclosed
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-07-29 US disclosed
US-6448286-B1 PREFERENTIALLY INHIBITS OR MODULATES INDUCIBLE OVER CONSTITUTIVE ISOFORM OF NITRIC OXIDE SYNTHASE; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2002-09-10 US disclosed
CN-1077886-C Amidino derivatives useful as nitric oxide synthase inhibitors SEARLE & CO (US) 2002-01-16 CN disclosed
US-6124305-A TREATING NON-INSULIN DEPENDENT DIABETES MELLITUS NOVARTIS AG (CH) 2000-09-26 US disclosed
US-6071906-A INHIBITS OR MODULATES THE INDUCIBLE ISOFORM OF NITRIC OXIDE SYNTHASE OVER THE THE CONSTITUTIVE ISOFORMS; ANTIARTHRITIC, -DIABETIC, ISCHEMIC, THROMBOSIS AGENTS; CARDIOVASCULAR DISORDERS; TOXIC SHOCK SYNDROME; AUTOIMMUNE DISEASES G. D. SEARLE & CO. (US) 2000-06-06 US disclosed
US-6046211-A TREATMENT OF ARTHRITIS OR INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA (ALLODYNIA), CEREBRAL ISCHEMIA AND OTHER CNS DISORDERS G.D. SEARLE & CO. (US) 2000-04-04 US disclosed
US-6011155-A N-(substituted glycyl)-2-cyanopyrrolidines, pharmaceutical compositions containing them and their use in inhibiting dipeptidyl peptidase-IV NOVARTIS AG (CH) 2000-01-04 US disclosed
EP-0897912-A1 Amidino derivatives useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 1999-02-24 EP disclosed
US-5854234-A Amidino dervatives useful as nitric oxide synthase inhibitors G. D. SEARLE & CO. (US) 1998-12-29 US disclosed
CN-1137268-A Amidino derivatives useful as nitric oxide synthase inhibitors SEARLE & CO (US) 1996-12-04 CN disclosed
WO-1995011231-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G. D. SEARLE & CO. (US) 1995-04-27 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-20110046152-A1 Amide Compounds, Preparation Methods and Uses Thereof ACHE, MGAM, PGLS MEN1 1677/4885KMT2A 522/4885POLB 4398/4885
US-20130059873-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 MEN1 3576/4885KMT2A 3404/4885POLB 3297/4885
US-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers SCN8A, SCN7A, SCN1A MEN1 3745/4885KMT2A 1799/4885POLB 3813/4885
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 MEN1 3576/4885KMT2A 3404/4885POLB 3297/4885

“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.