SCHEMBL3172153

SCHEMBL3172153

NC(=O)c1ncc(Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.45
LMNA P02545 1/20 0.38
PLAU P00749 3/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 1/20 0.37
MC3R P41968 1/20 0.37
POLB P06746 1/20 0.36
NNMT P40261 2/20 0.36
MAP4K4 O95819 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PARP1 P09874 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTK2 Q05397 1/20 0.35

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
SCHEMBL286703 0.77 HCAR2 (0.41) SIRT6LMNAL3MBTL1TSHRSMN1; SMN2
SCHEMBL12970650 0.77 NNMT (0.41) SIRT6LMNAADRA2AADRA2BADRA2C
SCHEMBL5047396 0.75 APLNR (0.48) SIRT6PLAUADRA2AADRA2BADRA2C
SCHEMBL29959449 0.75 ADORA3 (0.37) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL1855352 0.75 KDM4E (0.40) SIRT6PLAUADRA2AADRA2BADRA2C
SCHEMBL6469225 0.75 RAB9A (0.51) LMNAMAOB
SCHEMBL31589536 0.75 P2RX7 (0.59) LMNAL3MBTL1ADORA3SMN1; SMN2MAOB
Methane SCHEMBL26985795 0.73 KDM4E (0.39) SIRT6PLAUADRA2AADRA2BADRA2C
SCHEMBL7064548 0.73 POLB (0.40) SIRT6LMNAPLAUADORA3TSHR
SCHEMBL16833889 0.71 ADRA2A (0.39) PLAUADRA2AADRA2BADRA2CL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
US-9828350-B2 5,6-dihydro-2H-[1,4]oxazin-3-yl-amine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-11-28 US disclosed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP disclosed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 US disclosed
EP-2101783-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA Novartis Ag (CH) 2009-09-23 EP disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA SIRT6 750/4885LMNA 1292/4885PLAU 3023/4885
US-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B SIRT6 1847/4885LMNA 1934/4885PLAU 4425/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA SIRT6 458/4885LMNA 1182/4885PLAU 400/4885

“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.