SCHEMBL2384047

SCHEMBL2384047

COc1cc(N2CCN(C)CC2)ccc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.58
HTR6 P50406 2/20 0.49
MAPT P10636 4/20 0.48
MAPK1 P28482 3/20 0.48
HTR3A P46098 1/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
TGFBR1 P36897 1/20 0.47
ACVR1 Q04771 1/20 0.47
GAA P10253 4/20 0.46
KDM4E B2RXH2 3/20 0.46
PTK2B Q14289 2/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
ACHE P22303 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5528296 0.87 MAPK1 (0.49) SIRT6MAPTMAPK1HTTACHE
SCHEMBL31091978 0.86 ALDH1A1 (0.55) SIRT6MAPTMAPK1ALDH1A1KMT2A
SCHEMBL23705839 0.86 ALDH1A1 (0.55) SIRT6MAPTMAPK1ALDH1A1KMT2A
SCHEMBL807418 0.85 ALDH1A1 (0.58) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL13243994 0.84 SIRT6 (0.63) SIRT6HTR6MAPTMAPK1HTR3A
SCHEMBL3469564 0.83 MAPK1 (0.43) SIRT6MAPTMAPK1KDM4EHTT
SCHEMBL255446 0.82 CHRNB2 (0.60) HTR6MAPTHTR3ADRD2DRD3
SCHEMBL30602381 0.82 MEN1 (0.54) MAPTMAPK1TGFBR1ACVR1GAA
SCHEMBL807233 0.82 MEN1 (0.54) MAPTMAPK1TGFBR1ACVR1GAA
SCHEMBL1911875 0.81 SIRT6 (0.60) SIRT6HTR6MAPTMAPK1HTR3A

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2952510-B1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2018-12-26 EP disclosed
US-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 US disclosed
US-9670202-B2 Substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-06 US disclosed
US-9670202-B2 Substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-06 US disclosed
US-9670202-B2 Substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-06 US disclosed
EP-3004092-B1 SUBSTITUTED TRIAZOLOPYRIDINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
EP-3004092-B1 SUBSTITUTED TRIAZOLOPYRIDINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
EP-2582699-A1 SUBSTITUTED TRIAZOLOPYRIDINES Bayer Intellectual Property GmbH (DE) 2013-04-24 EP disclosed
WO-2012160029-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 WO disclosed
WO-2011157688-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 WO disclosed
WO-2011157688-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 WO disclosed
US-8017611-B2 Pyridine and pyrazine derivatives -083 ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 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-20130156756-A1 Substituted Triazolopyridines CCND2, CCND1, QDPR SIRT6 1762/4885HTR6 1963/4885MAPT 3372/4885
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 SIRT6 1581/4885HTR6 2764/4885MAPT 2946/4885

“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.