SCHEMBL520687

SCHEMBL520687

CN1CCN(C(c2ccc([N+](=O)[O-])cc2)C2CCNCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.46
CACNA2D1 P54289 4/20 0.45
CACNA1B Q00975 4/20 0.45
CACNB1 Q02641 4/20 0.45
ADRB1 P08588 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
GAA P10253 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CACNA1C Q13936 3/20 0.40
MC4R P32245 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL520305 0.86 SIRT6 (0.42) SIRT6ADRB1LMNAALDH1A1HPGD
SCHEMBL493568 0.80 CACNA2D1 (0.52) CACNA2D1CACNA1BCACNB1OPRM1OPRD1
SCHEMBL519356 0.80 SIRT6 (0.51) SIRT6CACNA2D1CACNA1BCACNB1LMNA
SCHEMBL493178 0.80 CACNA2D1 (0.61) CACNA2D1CACNA1BCACNB1KCNH2OPRM1
SCHEMBL4941263 0.74 CXCR4 (0.46) CACNA2D1CACNA1BCACNB1OPRM1OPRD1
SCHEMBL493622 0.71 CACNA2D1 (0.46) CACNA2D1CACNA1BCACNB1KCNH2CACNA1C
SCHEMBL3935054 0.70 SIRT6 (0.53) SIRT6LMNAALDH1A1HPGDKCNJ1
SCHEMBL4045417 0.70 SLC6A3 (0.49) SIRT6ADRB1ALDH1A1GAASLC6A3
SCHEMBL4819678 0.70 CHRM2 (0.57) SIRT6ADRB1ALDH1A1KCNJ1KCNH2
SCHEMBL24993177 0.69 MAPT (0.53) SIRT6LMNAALDH1A1HPGDKCNJ1

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-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 SIRT6 3364/4885CACNA2D1 852/4885CACNA1B 1505/4885

“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.