SCHEMBL519799

SCHEMBL519799

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MLYCD O95822 1/20 0.46
HTR7 P34969 1/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ENPP2 Q13822 5/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL520713 0.94 MAPT (0.50) ALDH1A1MLYCDHTR7MAPTKDM4E
SCHEMBL519767 0.88 HTR7 (0.53) MLYCDHTR7MAPTKDM4EMEN1
SCHEMBL520529 0.87 ADRA2C (0.57) ALDH1A1MLYCDMAPTKDM4ELMNA
SCHEMBL519800 0.85 ALDH1A1 (0.41) ALDH1A1MLYCDHTR7KDM4EENPP2
SCHEMBL2481413 0.85 ALDH1A1 (0.41) ALDH1A1MLYCDHTR7KDM4EENPP2
SCHEMBL1811762 0.79 SIRT6 (0.59) ALDH1A1MAPTLMNARAB9ASMN1; SMN2
SCHEMBL1126076 0.78 MAPT (0.60) ALDH1A1HTR7MAPTKDM4EMEN1
SCHEMBL2658444 0.76 POLB (0.52) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL31232720 0.75 HTR7 (0.56) HTR7MAPTKDM4EMEN1KMT2A
SCHEMBL520396 0.75 HTR7 (0.56) ALDH1A1HTR7MAPTKDM4EMEN1

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 779/4885MLYCD 3386/4885HTR7 3482/4885

“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.