SCHEMBL520305

SCHEMBL520305

CN1CCN(C(c2ccc([N+](=O)[O-])cc2)C2CCCNC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SLC6A3 Q01959 2/20 0.39
MC4R P32245 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
GAA P10253 2/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRB1 P08588 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2A P28223 1/20 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
SCHEMBL520687 0.86 SIRT6 (0.46) SIRT6LMNAALDH1A1HPGDSLC6A3
SCHEMBL520551 0.81 SIRT6 (0.47) SIRT6LMNAALDH1A1SLC6A3CYP2D6
SCHEMBL520541 0.81 SIRT6 (0.47) SIRT6LMNAALDH1A1SLC6A3CYP2D6
SCHEMBL2485125 0.81 SIRT6 (0.47) SIRT6LMNAALDH1A1SLC6A3CYP2D6
SCHEMBL4045417 0.70 SLC6A3 (0.49) SIRT6ALDH1A1SLC6A3GAACYP2D6
SCHEMBL3935054 0.70 SIRT6 (0.53) SIRT6LMNAALDH1A1HPGDMC4R
SCHEMBL519356 0.68 SIRT6 (0.51) SIRT6LMNAALDH1A1HPGDSLC6A3
SCHEMBL4819678 0.67 CHRM2 (0.57) SIRT6ALDH1A1DPP4DPP8GAA
SCHEMBL493568 0.66 CACNA2D1 (0.52) SLC6A3OPRM1OPRD1OPRK1CYP2D6
SCHEMBL24993177 0.66 MAPT (0.53) SIRT6LMNAALDH1A1HPGDMC4R

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 3364/4885LMNA 3783/4885ALDH1A1 779/4885

“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.