SCHEMBL502956

SCHEMBL502956

CNc1cc(Oc2ccnc(OC)c2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
NR4A1 P22736 1/20 0.37
DYRK1A Q13627 1/20 0.35
PPARG P37231 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
EGFR P00533 1/20 0.34
SCN9A Q15858 2/20 0.33
P2RX3 P56373 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TGFBR1 P36897 2/20 0.33
RAF1 P04049 1/20 0.33
ARAF P10398 1/20 0.33
BRAF P15056 1/20 0.33
HDAC1 Q13547 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
SCHEMBL13183226 0.83 MEN1 (0.40) NR4A1PPARGEGFRHDAC1ALDH1A1
SCHEMBL13211386 0.81 NR4A1 (0.54) NR4A1SMN1; SMN2RAF1ARAFBRAF
SCHEMBL502859 0.81 NQO2 (0.38) NR4A1PPARGSMN1; SMN2ALDH1A1GCK
SCHEMBL2028918 0.79 LOX (0.41) LOXLOXL2NOS3NOS1NOS2
SCHEMBL3177144 0.79 SMN1; SMN2 (0.54) LOXLOXL2NOS3NOS1NOS2
SCHEMBL502649 0.78 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL1131363 0.76 ALDH1A1 (0.53) NOS3NOS1NOS2NR4A1SMN1; SMN2
SCHEMBL12355368 0.76 KDR (0.58) RAF1BRAF
SCHEMBL23795587 0.75 MAPK14 (0.50) BRAFGCK
SCHEMBL30313600 0.75 MAPK14 (0.50) BRAFGCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404918-B1 PYRIDINE DERIVATIVE AS PPARY INHIBITOR DAIICHI SANKYO CO LTD (JP) 2016-11-30 EP disclosed
US-8946264-B2 Pyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-03 US disclosed
US-20130045994-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-21 US disclosed
US-20120029026-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2404918-A1 PYRIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-11 EP disclosed
WO-2010101164-A1 PYRIDINE DERIVATIVE 第一三共株式会社 (JP) 2010-09-10 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-20120029026-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA LOX 2756/4885LOXL2 4525/4885NOS3 2910/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA LOX 2756/4885LOXL2 4525/4885NOS3 2910/4885

“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.