SCHEMBL519626

SCHEMBL519626

O=[N+]([O-])c1ccc(C2=CCNCC2)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.50
HTR2A P28223 1/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
HTR2C P28335 2/20 0.44
AR P10275 6/20 0.43
ADRA2A P08913 1/20 0.42
PNMT P11086 1/20 0.42
PDE7A Q13946 1/20 0.41
POLB P06746 1/20 0.40
KHK P50053 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL10036372 0.83 HTR6 (0.53) HTR6HTR2AHTR2CADRA2APNMT
Hydrochloric Acid SCHEMBL17630885 0.83 HTR6 (0.59) HTR6HTR2AHTR2CADRA2APNMT
SCHEMBL31333875 0.83 HTR6 (0.53) HTR6HTR2AHTR2CADRA2APNMT
SCHEMBL520900 0.83 HTR6 (0.59) HTR6HTR2AHTR2CADRA2APNMT
SCHEMBL6410070 0.80 HTR6 (0.53) HTR6HTR2AHTR2CADRA2APNMT
SCHEMBL20423545 0.78 RORC (0.45) ARPDE7APOLBABCC8KCNJ11
SCHEMBL519662 0.77 HTR6 (0.53) HTR6HTR2AHTR2CADRA2APNMT
SCHEMBL19175120 0.77 AR (0.46) PDE3BPDE3AARPDE7APOLB
SCHEMBL24670167 0.77 GLA (0.54) HTR6PDE3BPDE3AHTR2CPOLB
SCHEMBL5536591 0.77 PDE3B (0.52) HTR6HTR2APDE3BPDE3AHTR2C

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 HTR6 3653/4885HTR2A 2335/4885PDE3B 3621/4885

“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.