SCHEMBL2574487

SCHEMBL2574487

N#Cc1ccnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
ALDH1A1 P00352 5/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 2/20 0.49
GPR55 Q9Y2T6 1/20 0.49
KDM4E B2RXH2 4/20 0.48
POLB P06746 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
CTSB P07858 2/20 0.41
CTSK P43235 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 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
SCHEMBL4267859 0.80 LMNA (0.48) LMNAALDH1A1NPSR1GAAGPR55
SCHEMBL6096777 0.80 LMNA (0.51) LMNAALDH1A1NPSR1GAAGPR55
SCHEMBL2573380 0.74 ALDH1A1 (0.46) LMNAALDH1A1NPSR1GAAGPR55
SCHEMBL2473074 0.72 ALDH1A1 (0.55) LMNAALDH1A1NPSR1GAAGPR55
SCHEMBL14797801 0.72 LMNA (0.54) LMNANPSR1KDM4ECYP3A4L3MBTL1
SCHEMBL15730455 0.72 LMNA (0.57) LMNAALDH1A1NPSR1KDM4EPOLB
SCHEMBL2475288 0.70 CTSB (0.44) LMNAALDH1A1NPSR1GAAGPR55
SCHEMBL28076716 0.70 LMNA (0.37) LMNAALDH1A1NPSR1GAAGPR55
SCHEMBL9854296 0.70 AGTR1 (0.51)
SCHEMBL27755520 0.69 LMNA (0.54) LMNAALDH1A1NPSR1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987030-B1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LTD (GB) 2011-11-09 EP disclosed
US-7691877-B2 Pharmaceuticals PFIZER INC. (US) 2010-04-06 US disclosed
EP-1987030-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS Pfizer Limited (GB) 2008-11-05 EP disclosed
WO-2007093901-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LIMITED (GB) 2007-08-23 WO disclosed
US-20070197478-A1 NOVEL PHARMACEUTICALS PFIZER LIMITED 2007-08-23 US 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-20070197478-A1 NOVEL PHARMACEUTICALS TLR3, HAVCR2, TLR9 LMNA 4120/4885ALDH1A1 2389/4885NPSR1 615/4885

“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.