SCHEMBL3267339

SCHEMBL3267339

CCCCCNc1ncc([N+](=O)[O-])c(NCCCCC)n1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
PRKCQ Q04759 11/20 0.55
STK17A Q9UEE5 1/20 0.53
SIRT5 Q9NXA8 2/20 0.49
GSK3B P49841 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FLT3 P36888 2/20 0.43
TYRO3 Q06418 2/20 0.43
MERTK Q12866 2/20 0.43
GAS6 Q14393 2/20 0.43
AXL P30530 1/20 0.43
HCAR3 P49019 1/20 0.42

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
SCHEMBL11746290 0.88 L3MBTL1 (0.62) L3MBTL1PRKCQSTK17ASIRT5GSK3B
SCHEMBL12876603 0.88 L3MBTL1 (0.70) L3MBTL1PRKCQSTK17ASIRT5GSK3B
SCHEMBL4191611 0.85 L3MBTL1 (0.66) L3MBTL1PRKCQSTK17ASIRT5ALDH1A1
SCHEMBL5975211 0.85 L3MBTL1 (0.52) L3MBTL1PRKCQSTK17ASIRT5ALDH1A1
SCHEMBL11676466 0.82 L3MBTL1 (0.58) L3MBTL1PRKCQSTK17ASIRT5ALDH1A1
SCHEMBL12876599 0.81 L3MBTL1 (0.71) L3MBTL1PRKCQSTK17AALDH1A1MAPT
SCHEMBL5408700 0.80 STK17A (0.80) L3MBTL1PRKCQSTK17AGSK3BMAPT
SCHEMBL5419910 0.77 STK17A (0.63) L3MBTL1PRKCQSTK17AGSK3BMAPT
SCHEMBL1194029 0.76 STK17A (0.49) STK17ASIRT5FLT3TYRO3MERTK
SCHEMBL9041749 0.75 MAPT (0.59) L3MBTL1PRKCQSTK17AALDH1A1MAPT

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-2185562-B1 PYRROLOPYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES JANSSEN PHARMACEUTICA NV (BE) 2015-12-02 EP disclosed
US-8318731-B2 Pyrrolopyrimidines JANSSEN PHARMACEUTICA NV (BE) 2012-11-27 US disclosed
US-20100204197-A1 PYRROLOPYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 US disclosed
EP-2185562-A1 PYRROLOPYRIMIDINES Janssen Pharmaceutica, N.V. (BE) 2010-05-19 EP disclosed
WO-2009016132-A1 PYRROLOPYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2009-02-05 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-20100204197-A1 PYRROLOPYRIMIDINES PLK4, PLK2, PLK3 L3MBTL1 3049/4885PRKCQ 371/4885STK17A 57/4885

“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.