SCHEMBL520900

SCHEMBL520900

Cc1cc([N+](=O)[O-])ccc1C1=CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.59
HTR2A P28223 1/20 0.59
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
ADRA2A P08913 1/20 0.44
PNMT P11086 1/20 0.44
CYP3A4 P08684 3/20 0.44
KHK P50053 1/20 0.43
HTR2C P28335 3/20 0.41
ADAM10 O14672 1/20 0.40
ERBB2 P04626 1/20 0.40
NPBWR1 P48145 1/20 0.39
SLC6A4 P31645 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
PTPRC P08575 1/20 0.38
S100A4 P26447 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
Hydrochloric Acid SCHEMBL17630885 1.00 HTR6 (0.59) HTR6HTR2ATDP1ALDH1A1TSHR
SCHEMBL30962819 0.86 ALDH1A1 (0.49) HTR6HTR2ATDP1ALDH1A1TSHR
SCHEMBL10036372 0.83 HTR6 (0.53) HTR6HTR2ATDP1ALDH1A1ADRA2A
SCHEMBL31333875 0.83 HTR6 (0.53) HTR6HTR2ATDP1ALDH1A1ADRA2A
SCHEMBL519626 0.83 HTR6 (0.50) HTR6HTR2AALDH1A1ADRA2APNMT
SCHEMBL519662 0.83 HTR6 (0.53) HTR6HTR2ATDP1ALDH1A1ADRA2A
SCHEMBL6410070 0.81 HTR6 (0.53) HTR6HTR2ATDP1ALDH1A1ADRA2A
SCHEMBL4775022 0.80 HTR6 (0.53) HTR6HTR2ATDP1ALDH1A1ADRA2A
Hydrochloric Acid SCHEMBL9958496 0.79 HTR2C (0.57) HTR6HTR2AADRA2APNMTKHK
SCHEMBL521338 0.79 HTR6 (0.49) HTR6HTR2AADRA2APNMTKHK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197884-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2017-08-02 EP disclosed
WO-2016049211-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-03-31 WO disclosed
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 2335/4885TDP1 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.