SCHEMBL6034573

SCHEMBL6034573

O=[N+]([O-])c1ccc(OCCn2ccnn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
PKM P14618 2/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL5560082 0.93 HRH3 (0.50) LTA4HPTGS1PTGS2KDM4EALDH1A1
SCHEMBL17298803 0.83 HSPB1 (0.42) LTA4HPTGS1PTGS2KDM4EALDH1A1
SCHEMBL11008124 0.82 HTR2A (0.45) KDM4EALDH1A1TDP1PKMMAPT
SCHEMBL5564001 0.81 IDO1 (0.44) MAPTSMN1; SMN2KCNH2
SCHEMBL6646143 0.81 LTA4H (0.51) LTA4HPTGS1PTGS2KDM4EALDH1A1
Nitric Acid SCHEMBL6033962 0.78 FURIN (0.48)
SCHEMBL29480048 0.78 LTA4H (0.45) LTA4HALDH1A1HRH3DRD2DRD3
SCHEMBL15579116 0.78 MAPK1 (0.55) LTA4HPTGS2KDM4ESMN1; SMN2
SCHEMBL13246360 0.78 QPCT (0.50) KDM4EALDH1A1MAPTSMN1; SMN2DRD2
SCHEMBL6033167 0.78 LTA4H (0.45) LTA4HPTGS1PTGS2KDM4EALDH1A1

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-1187816-B1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LTD (GB) 2006-12-20 EP disclosed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 US disclosed
US-6579983-B1 Potent and selective inhibitors of receptor tyrosine kinases involved in angiogenesis, especially KDR kinase and/or FGFr kinase CELLTECH R&D LIMITED (GB) 2003-06-17 US disclosed
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 US disclosed
EP-1187816-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES Celltech R&D Limited (GB) 2002-03-20 EP disclosed
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 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-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR LTA4H 3576/4885PTGS1 683/4885PTGS2 1917/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR LTA4H 3437/4885PTGS1 618/4885PTGS2 1834/4885

“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.