SCHEMBL2981682

SCHEMBL2981682

N#Cc1cncc(-c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
VCAM1 P19320 2/20 0.49
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.46
MAP4K4 O95819 1/20 0.45
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL17116617 0.81 CYP11B2 (0.62) CYP11B1CYP11B2MAP4K4PRMT5WDR77
SCHEMBL2961542 0.81 KCNJ1 (0.55) VCAM1MAPTLMNANPC1PKM
SCHEMBL28013968 0.79 VCAM1 (0.64) VCAM1ALDH1A1GAAXDH
SCHEMBL2983844 0.78 CYP11B2 (0.61) CYP11B1CYP11B2MAP4K4PRMT5WDR77
SCHEMBL27605213 0.76 PTGS2 (0.50) CYP11B1CYP11B2MAP4K4CA12CA1
SCHEMBL17116450 0.76 CYP11B2 (0.61) CYP11B1CYP11B2MAP4K4PRMT5WDR77
SCHEMBL6085958 0.76 CYP11B2 (0.66) CYP11B1CYP11B2MAP4K4
SCHEMBL30725703 0.76 CYP11B2 (0.57) CYP11B1CYP11B2MAP4K4PRMT5WDR77
SCHEMBL21044264 0.76 CYP11B2 (0.57) CYP11B1CYP11B2MAP4K4PRMT5WDR77
SCHEMBL969074 0.76 CYP11B2 (0.61) CYP11B1CYP11B2MAP4K4PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 CYP11B1 1865/4885CYP11B2 2155/4885VCAM1 1400/4885

“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.