SCHEMBL2114463

SCHEMBL2114463

O=C(O)c1c(F)ccnc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.48
KDM4E B2RXH2 6/20 0.47
ASPH Q12797 3/20 0.47
KDM8 Q8N371 3/20 0.47
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KMO O15229 6/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM6B O15054 1/20 0.36
TET3 O43151 1/20 0.36
KDM4A O75164 1/20 0.36
BBOX1 O75936 1/20 0.36
MAPT P10636 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
TET2 Q6N021 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
KDM7A Q6ZMT4 1/20 0.36
TET1 Q8NFU7 1/20 0.36

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
SCHEMBL10765922 0.81 KDM4E (0.46) NAPRTKDM4EASPHKDM8CES2
SCHEMBL10373429 0.81 KDM4E (0.60) NAPRTKDM4EASPHKDM8CES2
SCHEMBL5036110 0.81 NAPRT (0.38) NAPRTKDM4EASPHKDM8CES2
SCHEMBL16414338 0.81 NAPRT (0.38) NAPRTKDM4EASPHKDM8CES2
SCHEMBL2338841 0.81 NAPRT (0.38) NAPRTKDM4EASPHKDM8CES2
SCHEMBL1478308 0.79 SMN1; SMN2 (0.46) NAPRTKDM4EASPHKDM8CES2
SCHEMBL17611245 0.79 NAPRT (0.46) NAPRTKDM4EASPHKDM8KMO
SCHEMBL198077 0.79 NAPRT (0.46) NAPRTKDM4EASPHKDM8KMO
SCHEMBL21826438 0.79 KDM4E (0.44) NAPRTKDM4EASPHKDM8CES2
SCHEMBL31281607 0.79 NAPRT (0.46) NAPRTKDM4EASPHKDM8KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018112840-A1 6, 5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed
WO-2018112842-A1 6,6-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed
WO-2018112843-A1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed
WO-2017107087-A1 6, 7-DIHYDRO-5H-PYRROLO [3, 4-B] PYRIDIN-5-ONEALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
EP-2627637-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2013-08-21 EP disclosed
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
WO-2012131037-A1 RADIOLABELLED FLUMAZENIL DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-10-04 WO disclosed
WO-2012131037-A1 RADIOLABELLED FLUMAZENIL DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-10-04 WO disclosed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 US disclosed
WO-2012049190-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 WO disclosed
EP-1699767-A4 PROCESS FOR THE PREPARATION OF PYRIDOPYRIMIDONES SCIOS INC (US) 2008-12-03 EP disclosed
US-7119199-B2 Process for the preparation of pyridopyrimidones SCIOS INC (US) 2006-10-10 US disclosed
EP-1699767-A2 PROCESS FOR THE PREPARATION OF PYRIDOPYRIMIDONES Scios, Inc. (US) 2006-09-13 EP disclosed
US-20050176957-A1 Process for the preparation of pyridopyrimidones SCIOS INC. 2005-08-11 US disclosed
WO-2005065416-A2 PROCESS FOR THE PREPARATION OF PYRIDOPYRIMIDONES SCIOS INC. (US) 2005-07-21 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 (2 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-20050176957-A1 Process for the preparation of pyridopyrimidones PDXK, PNPO, AGPS NAPRT 136/4885KDM4E 2063/4885ASPH 1781/4885
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES APOB, CETP, NPC1L1 NAPRT 577/4885KDM4E 1664/4885ASPH 1922/4885

“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.