SCHEMBL428536

SCHEMBL428536

Cc1ccc(C=NNc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.52
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 5/20 0.52
GAA P10253 4/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 4/20 0.47
POLB P06746 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 2/20 0.47
ATM Q13315 2/20 0.46
FES P07332 1/20 0.44
FER P16591 1/20 0.44
TYK2 P29597 1/20 0.44
FRK P42685 1/20 0.44
SYK P43405 1/20 0.44

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
SCHEMBL428535 1.00 MAPT (0.52) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL2671460 0.89 MAPT (0.58) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL2671465 0.89 MAPT (0.58) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL430027 0.88 SIGMAR1 (0.52) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL430028 0.88 SIGMAR1 (0.52) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL428538 0.88 KDM4E (0.54) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL428539 0.88 KDM4E (0.54) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL422587 0.88 MAPT (0.43) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL422588 0.88 MAPT (0.43) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL428574 0.86 MAPT (0.56) MAPTKDM4EALDH1A1GAAHPGD

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 MAPT 1165/4885KDM4E 2452/4885ALDH1A1 334/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 MAPT 238/4885KDM4E 3825/4885ALDH1A1 1903/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPT 4316/4885KDM4E 1015/4885ALDH1A1 3468/4885
US-20100173413-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 MAPT 1165/4885KDM4E 2452/4885ALDH1A1 334/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 MAPT 1165/4885KDM4E 2452/4885ALDH1A1 334/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MAPT 2815/4885KDM4E 2869/4885ALDH1A1 747/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MAPT 4316/4885KDM4E 1015/4885ALDH1A1 3468/4885

“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.