SCHEMBL519800

SCHEMBL519800

CC(O)(CC(N1CCN(c2cccc(N)c2)CC1)C(C)(C)O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MLYCD O95822 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
HTR7 P34969 1/20 0.40
ENPP2 Q13822 5/20 0.39

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
SCHEMBL2481413 1.00 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1MLYCDDRD2
SCHEMBL519799 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EMLYCDHTR7ENPP2
SCHEMBL520713 0.79 MAPT (0.50) ALDH1A1KDM4EMLYCDHTR7ENPP2
SCHEMBL519767 0.74 HTR7 (0.53) KDM4EMLYCDDRD2DRD4DRD3
SCHEMBL520529 0.72 ADRA2C (0.57) ALDH1A1KDM4ETDP1MLYCDDRD2
SCHEMBL1126076 0.71 MAPT (0.60) ALDH1A1KDM4EHTR7ENPP2
SCHEMBL27664839 0.69 SLC6A2 (0.55) ALDH1A1KDM4ETDP1ENPP2
SCHEMBL2658444 0.69 POLB (0.52) ALDH1A1KDM4EDRD2DRD4DRD3
SCHEMBL27664841 0.69 KDM4E (0.51) ALDH1A1KDM4ETDP1MLYCDENPP2
SCHEMBL5165090 0.69 MAPT (0.54) ALDH1A1KDM4EHTR7ENPP2

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 2 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-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 ALDH1A1 779/4885KDM4E 192/4885TDP1 1698/4885

“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.