Sugi Predict

Sugi Predict / Compounds / SCHEMBL2338841

SCHEMBL2338841

SCHEMBL2338841

NC(=O)c1c(F)ccnc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ASPH Q12797 1/20 0.37
▸ KDM8 Q8N371 1/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ PARP1 P09874 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ MKNK1 Q9BUB5 2/20 0.33
▸ MKNK2 Q9HBH9 2/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ NTRK1 P04629 2/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2114463 0.81 NAPRT (0.48) NAPRTKDM4EASPHKDM8CES2
SCHEMBL28846830 0.80 POLB (0.38) KDM4EASPHKDM8CES2CES1
SCHEMBL28018456 0.80 SIRT3 (0.43) NAPRTKDM4EASPHKDM8TDP1
SCHEMBL28164428 0.80 MKNK1 (0.44) KDM4EASPHKDM8CES2CES1
SCHEMBL15549181 0.80 NAPRT (0.36) NAPRTKDM4EASPHKDM8HTT
SCHEMBL16414338 0.79 NAPRT (0.38) NAPRTKDM4EASPHKDM8CES2
SCHEMBL5036110 0.79 NAPRT (0.38) NAPRTKDM4EASPHKDM8CES2
SCHEMBL31208519 0.76 KDM4E (0.46) KDM4EHTTTDP1MKNK1MKNK2
SCHEMBL31726010 0.76 KDM4E (0.46) KDM4EHTTTDP1MKNK1MKNK2
SCHEMBL21723089 0.75 CA12 (0.42) NAPRTKDM4EALDH1A1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358735-A1 AZEPINONE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2011-08-24 — — EP claimed
WO-2010056496-A1 AZEPINONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-05-20 — — WO claimed
CN-103153957-A N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN LA ROCHE 2013-06-12 — — CN disclosed
US-20120107240-A1 Probes and methods of melanoma imaging THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-05-03 — — US disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 — — EP disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 — — WO disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 — — EP disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 — — 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 (1 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-20120107240-A1 Probes and methods of melanoma imaging TYR, MC1R, MCHR1 NAPRT 1812/4885KDM4E 3244/4885ASPH 1658/4885

“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.