SCHEMBL5036110

SCHEMBL5036110

O=C(Cl)c1c(F)ccnc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 2/20 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
TYK2 P29597 3/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
HTT P42858 1/20 0.33
NOD2 Q9HC29 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
KMO O15229 3/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL30047616 0.82 ALDH1A1 (0.39) ALDH1A1ALOX15KDM4EASPHKDM8
SCHEMBL2114463 0.81 NAPRT (0.48) NAPRTALDH1A1KDM4EASPHKDM8
SCHEMBL26618917 0.80 NAPRT (0.36) NAPRTALDH1A1ALOX15KDM4EASPH
SCHEMBL16414338 0.79 NAPRT (0.38) NAPRTALDH1A1KDM4EASPHKDM8
SCHEMBL2338841 0.79 NAPRT (0.38) NAPRTALDH1A1KDM4EASPHKDM8
SCHEMBL27189436 0.75 KDM4E (0.46) NAPRTALDH1A1ALOX15KDM4EASPH
SCHEMBL21723089 0.75 CA12 (0.42) NAPRTALDH1A1ALOX15KDM4ELMNA
SCHEMBL5112165 0.71 CA1 (0.34) ALDH1A1ALOX15KDM4EASPHKDM8
SCHEMBL14741153 0.71 SSTR4 (0.38) ALDH1A1ALOX15KDM4EKMT2AMEN1
SCHEMBL105255 0.70 CES2 (0.64) ALDH1A1ALOX15CES2CES1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102675237-A 2, 4-diphenyl oxazoline new compound, synthetic method and acaricidal activity thereof NANJING UNIVERSITY OF TECHNOLOGY 2012-09-19 CN 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
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-20050176957-A1 Process for the preparation of pyridopyrimidones PDXK, PNPO, AGPS NAPRT 136/4885ALDH1A1 1829/4885ALOX15 1911/4885

“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.