SCHEMBL425508

SCHEMBL425508

C(=NNc1cc(N2CCOCC2)cc(OCCN2CCOCC2)n1)c1noc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.41
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
HTR2B P41595 1/20 0.38
DDR2 Q16832 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
FES P07332 1/20 0.36
FER P16591 1/20 0.36
TYK2 P29597 1/20 0.36
FRK P42685 1/20 0.36

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
SCHEMBL425507 1.00 SIGMAR1 (0.41) SIGMAR1MAPTL3MBTL1MEN1NPC1
SCHEMBL425947 0.85 SIGMAR1 (0.40) SIGMAR1MAPTL3MBTL1MEN1ALDH1A1
SCHEMBL425948 0.85 SIGMAR1 (0.40) SIGMAR1MAPTL3MBTL1MEN1ALDH1A1
SCHEMBL424197 0.85 L3MBTL1 (0.46) MAPTL3MBTL1MEN1NPC1ALDH1A1
SCHEMBL424196 0.85 L3MBTL1 (0.46) MAPTL3MBTL1MEN1NPC1ALDH1A1
SCHEMBL429033 0.84 SIGMAR1 (0.40) SIGMAR1MAPTL3MBTL1MEN1NPC1
SCHEMBL429032 0.84 SIGMAR1 (0.40) SIGMAR1MAPTL3MBTL1MEN1NPC1
SCHEMBL14412495 0.84 CRHR1 (0.41) SIGMAR1MAPTL3MBTL1ALDH1A1MAOB
SCHEMBL428538 0.84 KDM4E (0.54) SIGMAR1MAPTL3MBTL1MEN1NPC1
SCHEMBL428539 0.84 KDM4E (0.54) SIGMAR1MAPTL3MBTL1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687004-A4 PYRIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2009-04-08 EP claimed
JP-2007510747-A 2007-04-26 JP claimed
EP-1687004-A2 PYRIDINE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP claimed
US-20050250774-A1 Pyridine compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US claimed
WO-2005046603-A2 PYRIDINE COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-8173651-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-05-08 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-20100173413-A1 PYRIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-07-08 US disclosed
US-7687498-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2010-03-30 US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
US-20080167300-A1 PYRIDINE COMPOUNDS MADRIGAL PHARMACEUTICALS, INC. 2008-07-10 US disclosed
US-7338951-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-03-04 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20050250774-A1 Pyridine compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US 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 (7 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-20080167300-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 SIGMAR1 3553/4885MAPT 1165/4885L3MBTL1 4499/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 SIGMAR1 4309/4885MAPT 238/4885L3MBTL1 4848/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 SIGMAR1 3961/4885MAPT 4316/4885L3MBTL1 1129/4885
US-20100173413-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 SIGMAR1 3553/4885MAPT 1165/4885L3MBTL1 4499/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 SIGMAR1 3553/4885MAPT 1165/4885L3MBTL1 4499/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 SIGMAR1 4405/4885MAPT 2815/4885L3MBTL1 3992/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 SIGMAR1 3961/4885MAPT 4316/4885L3MBTL1 1129/4885

“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.