SCHEMBL12876603

SCHEMBL12876603

CCCCNc1nc(NC)ncc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.70
STK17A Q9UEE5 1/20 0.52
PRKCQ Q04759 10/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SIRT5 Q9NXA8 2/20 0.45
GSK3B P49841 1/20 0.43
RIPK1 Q13546 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
PTK2B Q14289 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
SCHEMBL11746290 0.89 L3MBTL1 (0.62) L3MBTL1STK17APRKCQMAPTALDH1A1
SCHEMBL3267339 0.88 L3MBTL1 (0.67) L3MBTL1STK17APRKCQMAPTALDH1A1
SCHEMBL12876599 0.82 L3MBTL1 (0.71) L3MBTL1STK17APRKCQMAPTALDH1A1
SCHEMBL5408700 0.81 STK17A (0.80) L3MBTL1STK17APRKCQMAPTGSK3B
SCHEMBL1521779 0.81 GSK3B (0.53) L3MBTL1STK17APRKCQMAPTGSK3B
SCHEMBL4191611 0.78 L3MBTL1 (0.66) L3MBTL1STK17APRKCQMAPTALDH1A1
SCHEMBL5419910 0.78 STK17A (0.63) L3MBTL1STK17APRKCQMAPTGSK3B
SCHEMBL11676466 0.78 L3MBTL1 (0.58) L3MBTL1STK17APRKCQMAPTALDH1A1
SCHEMBL12876608 0.76 L3MBTL1 (0.45) L3MBTL1
SCHEMBL5975211 0.73 L3MBTL1 (0.52) L3MBTL1STK17APRKCQMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046131-A1 PURINES AS PKC-THETA INHIBITORS N.V. Organon and Pharmacopeia, LLC 2011-02-24 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-20110046131-A1 PURINES AS PKC-THETA INHIBITORS PRKCQ, PRKCE, PRKCH L3MBTL1 3625/4885STK17A 393/4885PRKCQ 1/4885

“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.