SCHEMBL521338

SCHEMBL521338

CC(=O)Nc1cc([N+](=O)[O-])ccc1C1=CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.49
HTR2A P28223 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
CYP19A1 P11511 1/20 0.40
KHK P50053 1/20 0.39
BRPF1 P55201 1/20 0.39
HTT P42858 3/20 0.39
ADRA2A P08913 1/20 0.39
PNMT P11086 1/20 0.39
DYRK1A Q13627 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 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
SCHEMBL520900 0.79 HTR6 (0.59) HTR6HTR2AKHKADRA2APNMT
Hydrochloric Acid SCHEMBL17630885 0.79 HTR6 (0.59) HTR6HTR2AKHKADRA2APNMT
SCHEMBL16385666 0.78 SLC6A4 (0.55) SMN1; SMN2GAA
SCHEMBL28538188 0.77 MAPT (0.49) HTR6HTR2AKHKHTTKMT2A
SCHEMBL31333875 0.76 HTR6 (0.53) HTR6HTR2AKHKADRA2APNMT
SCHEMBL10036372 0.76 HTR6 (0.53) HTR6HTR2AKHKADRA2APNMT
SCHEMBL519662 0.76 HTR6 (0.53) HTR6HTR2AKHKHTTADRA2A
SCHEMBL6410070 0.74 HTR6 (0.53) HTR6HTR2AKHKADRA2APNMT
SCHEMBL520577 0.73 SMN1; SMN2 (0.44) SMN1; SMN2CYP19A1
SCHEMBL519626 0.73 HTR6 (0.50) HTR6HTR2AKHKADRA2APNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783524-B2 Protein tyrosine kinase modulators and methods of use BETTA PHARMACEUTICALS CO., LTD. (CN) 2017-10-10 US disclosed
US-20160145237-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE BETTA PHARMACEUTICALS CO., LTD (CN) 2016-05-26 US disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
WO-2015003658-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE BETTA PHARMACEUTICALS CO., LTD (CN) 2015-01-15 WO 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 (2 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-20160145237-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE ALK, EGFR, ERBB2 HTR6 2085/4885HTR2A 3021/4885SMN1; SMN2 4557/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 HTR6 3653/4885HTR2A 2335/4885SMN1; SMN2 4722/4885

“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.