SCHEMBL425413

SCHEMBL425413

NN=C(c1cccc(C(=O)NC2CC2)c1)c1cc(N2CCOCC2)cc(OCCN2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.43
DDR2 Q16832 1/20 0.41
PPARG P37231 1/20 0.40
HTR7 P34969 3/20 0.40
HTR1A P08908 1/20 0.40
FLT3 P36888 1/20 0.40
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
HTR2A P28223 7/20 0.39
DRD3 P35462 7/20 0.39
DRD2 P14416 5/20 0.39
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39

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
SCHEMBL425411 1.00 MAPK14 (0.43) MAPK14DDR2PPARGHTR7HTR1A
SCHEMBL425347 0.90 DDR2 (0.42) MAPK14DDR2HTR1AHTR2ADRD2
SCHEMBL425345 0.90 DDR2 (0.42) MAPK14DDR2HTR1AHTR2ADRD2
SCHEMBL425402 0.89 KMO (0.45) MAPK14DDR2CNR1CNR2
SCHEMBL425404 0.89 KMO (0.45) MAPK14DDR2CNR1CNR2
SCHEMBL430389 0.88 DDR2 (0.42) MAPK14DDR2CNR1CNR2
SCHEMBL430391 0.88 DDR2 (0.42) MAPK14DDR2CNR1CNR2
SCHEMBL425820 0.87 MRGPRX4 (0.47) DDR2HTR7
SCHEMBL425298 0.84 L3MBTL1 (0.48)
SCHEMBL425301 0.83 CASR (0.42) DDR2PPARG

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 MAPK14 611/4885DDR2 4605/4885PPARG 54/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 MAPK14 405/4885DDR2 4598/4885PPARG 60/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPK14 3031/4885DDR2 4551/4885PPARG 2165/4885
US-20100173413-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 MAPK14 611/4885DDR2 4605/4885PPARG 54/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 MAPK14 611/4885DDR2 4605/4885PPARG 54/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MAPK14 160/4885DDR2 4866/4885PPARG 3092/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MAPK14 3031/4885DDR2 4551/4885PPARG 2165/4885

“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.