SCHEMBL519662

SCHEMBL519662

COc1cc([N+](=O)[O-])ccc1C1=CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.53
HTR2A P28223 1/20 0.53
HTT P42858 2/20 0.51
QDPR P09417 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2C P28335 1/20 0.43
MAPK1 P28482 1/20 0.43
BRCA1 P38398 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CCNT1 O60563 3/20 0.42
CDK9 P50750 3/20 0.42
ADRA2A P08913 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL17631137 0.90 HTR6 (0.45) HTR6HTR2AHTTQDPRALDH1A1
SCHEMBL4775022 0.90 HTR6 (0.53) HTR6HTR2AHTTQDPRTDP1
Hydrochloric Acid SCHEMBL17630885 0.83 HTR6 (0.59) HTR6HTR2ATDP1ALDH1A1CYP3A4
SCHEMBL520900 0.83 HTR6 (0.59) HTR6HTR2ATDP1ALDH1A1CYP3A4
SCHEMBL10036372 0.80 HTR6 (0.53) HTR6HTR2ATDP1ALDH1A1KMT2A
SCHEMBL31333875 0.80 HTR6 (0.53) HTR6HTR2ATDP1ALDH1A1KMT2A
SCHEMBL30868330 0.80 HTT (0.51) HTTTDP1ALDH1A1KMT2AMEN1
SCHEMBL26938715 0.78 QDPR (0.52) HTR6QDPRALDH1A1KMT2AKDM4E
SCHEMBL6410070 0.77 HTR6 (0.53) HTR6HTR2ATDP1ALDH1A1CYP3A4
SCHEMBL519626 0.77 HTR6 (0.50) HTR6HTR2AALDH1A1HTR2CADRA2A

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 2335/4885HTT 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.