SCHEMBL521624

SCHEMBL521624

COc1c([N+](=O)[O-])ccc(N2CCN(C[C@H](C)O)CC2)c1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
NPY1R P25929 1/20 0.46
HTT P42858 1/20 0.46
NPY2R P49146 1/20 0.46
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 7/20 0.43
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALK Q9UM73 1/20 0.41
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1A P08908 1/20 0.39
HSP90AB1 P08238 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL521625 1.00 MAPT (0.46) MAPTNPY1RHTTNPY2RDRD2
SCHEMBL2209087 0.82 ALDH1A1 (0.47) MAPTLMNAALDH1A1GAARECQL
SCHEMBL3346768 0.82 ALDH1A1 (0.44) MAPTLMNAALDH1A1GAARECQL
SCHEMBL521121 0.81 DRD2 (0.46) MAPTDRD2DRD3ALDH1A1L3MBTL1
SCHEMBL521120 0.81 DRD2 (0.46) MAPTDRD2DRD3ALDH1A1L3MBTL1
SCHEMBL28848356 0.81 SIRT6 (0.53) MAPTHTTLMNAALDH1A1L3MBTL1
SCHEMBL15540862 0.80 MAPT (0.64) MAPTNPY1RHTTNPY2RLMNA
SCHEMBL3315189 0.79 MAPT (0.54) MAPTLMNAALDH1A1GAARECQL
SCHEMBL521847 0.79 MAPT (0.52) MAPTNPY1RHTTNPY2RLMNA
SCHEMBL521846 0.79 MAPT (0.52) MAPTNPY1RHTTNPY2RLMNA

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 3 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

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 MAPT 3109/4885NPY1R 776/4885HTT 786/4885

“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.