SCHEMBL519767

SCHEMBL519767

CC(C)(O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1.O=[N+]([O-])c1cccc(N2CCNCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.53
HTR1A P08908 1/20 0.53
ADRB1 P08588 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
MLYCD O95822 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ENPP2 Q13822 3/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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 0.93 MAPT (0.50) HTR7MLYCDKDM4EMAPTMEN1
SCHEMBL519799 0.88 ALDH1A1 (0.50) HTR7MLYCDKDM4EMAPTMEN1
SCHEMBL519878 0.83 HTR1A (0.72) HTR7HTR1AADRB1SIRT6DRD2
Hydrochloric Acid SCHEMBL1364478 0.82 HTR1A (0.70) HTR7HTR1AADRB1SIRT6DRD2
Tert-Butyl Formate SCHEMBL28024441 0.78 HTR1A (0.56) HTR7HTR1AADRB1SIRT6KDM4E
SCHEMBL1811762 0.78 SIRT6 (0.59) HTR1ASIRT6MAPTRAB9ALMNA
SCHEMBL2232414 0.78 HTR1A (0.65) HTR7HTR1AADRB1SIRT6KDM4E
SCHEMBL3869919 0.77 HTR7 (0.51) HTR7HTR1AADRB1SIRT6KDM4E
SCHEMBL1126076 0.77 MAPT (0.60) HTR7KDM4EMAPTMEN1KMT2A
SCHEMBL27906471 0.75 HTR1A (0.60) HTR7HTR1AADRB1SIRT6KDM4E

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 HTR7 3482/4885HTR1A 3342/4885ADRB1 3478/4885

“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.