SCHEMBL520107

SCHEMBL520107

COc1cc(C(=O)N2CCN(C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.61
POLB P06746 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 9/20 0.54
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
CYP2C19 P33261 1/20 0.50
ERN1 O75460 1/20 0.49
HSP90AA1 P07900 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL15880409 0.95 ALDH1A1 (0.58) SIRT6POLBL3MBTL1ALDH1A1KDM4E
SCHEMBL11297785 0.90 ALDH1A1 (0.54) POLBL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL12312127 0.90 ALDH1A1 (0.54) POLBL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL520898 0.90 ALDH1A1 (0.66) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL1784262 0.90 ALDH1A1 (0.59) SIRT6POLBL3MBTL1ALDH1A1KDM4E
SCHEMBL16982444 0.89 L3MBTL3 (0.57) SIRT6POLBL3MBTL1ALDH1A1KDM4E
SCHEMBL16982489 0.86 L3MBTL1 (0.52) SIRT6POLBL3MBTL1ALDH1A1KDM4E
SCHEMBL16982412 0.86 NPSR1 (0.56) POLBL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL29833145 0.86 ALDH1A1 (0.71) POLBL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL11299599 0.86 PKM (0.52) SIRT6POLBL3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099694-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-16 EP disclosed
US-9212192-B2 Bicyclic carboxamide inhibitors of kinases ABBVIE INC. (US) 2015-12-15 US disclosed
WO-2015127873-A1 ARYLAMINO PYRAMIDINE COMPOUND AND APPLICATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM 上海海雁医药科技有限公司 2015-09-03 WO disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-20140194418-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES ABBVIE INC. (US) 2014-07-10 US disclosed
US-20140171429-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-19 US 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 (3 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-20140171429-A1 BICYCLIC INHIBITORS OF ALK ALK, ACVR1, ACVR1B SIRT6 4458/4885POLB 1446/4885L3MBTL1 225/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 SIRT6 3364/4885POLB 860/4885L3MBTL1 2484/4885
US-20140194418-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES ALK, BRAF, BMX SIRT6 2305/4885POLB 1605/4885L3MBTL1 2374/4885

“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.