SCHEMBL430185

SCHEMBL430185

CC(=O)N(C)c1ccc(C)cc1C(=NN)c1cc(N2CCOCC2)cc(OCCN2CCOCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.37
HTR2B P41595 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
KCNH2 Q12809 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ABCB1 P08183 1/20 0.35
ACHE P22303 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MC4R P32245 1/20 0.34
HTT P42858 1/20 0.34
PTK2B Q14289 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL425670 0.91 SIGMAR1 (0.38) SIGMAR1HTR2BCASP7CASP6KCNH2
SCHEMBL430597 0.85 SIGMAR1 (0.39) SIGMAR1HTR2BCASP7CASP6KCNH2
SCHEMBL428809 0.85 SIGMAR1 (0.39) SIGMAR1HTR2BCASP7CASP6KCNH2
SCHEMBL430595 0.85 SIGMAR1 (0.39) SIGMAR1HTR2BCASP7CASP6KCNH2
SCHEMBL428811 0.85 SIGMAR1 (0.39) SIGMAR1HTR2BCASP7CASP6KCNH2
SCHEMBL424147 0.83 SIGMAR1 (0.38) SIGMAR1HTR2BCASP7CASP6KCNH2
SCHEMBL430903 0.78 CASP7 (0.42) SIGMAR1HTR2BCASP7CASP6L3MBTL1
SCHEMBL430905 0.78 CASP7 (0.42) SIGMAR1HTR2BCASP7CASP6L3MBTL1
SCHEMBL430183 0.78 MAPT (0.39) SIGMAR1HTR2BL3MBTL1MEN1KMT2A
SCHEMBL430184 0.78 MAPT (0.39) SIGMAR1HTR2BL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173651-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-05-08 US claimed
US-7687498-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2010-03-30 US claimed
EP-1687004-A4 PYRIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2009-04-08 EP claimed
US-7338951-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-03-04 US 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-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 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 3553/4885HTR2B 1832/4885CASP7 833/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 SIGMAR1 4309/4885HTR2B 4593/4885CASP7 1449/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 SIGMAR1 3961/4885HTR2B 4260/4885CASP7 821/4885
US-20100173413-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 SIGMAR1 3553/4885HTR2B 1832/4885CASP7 833/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 SIGMAR1 3553/4885HTR2B 1832/4885CASP7 833/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 SIGMAR1 4405/4885HTR2B 2882/4885CASP7 229/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 SIGMAR1 3961/4885HTR2B 4260/4885CASP7 821/4885

“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.