SCHEMBL424442

SCHEMBL424442

C(=NNc1cc(OCCN2CCOCC2)nc(N2CCOCC2)c1)c1n[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.42
LRRK2 Q5S007 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
AKT1 P31749 2/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 1/20 0.36
LTA4H P09960 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FES P07332 1/20 0.36
FER P16591 1/20 0.36
TYK2 P29597 1/20 0.36
FRK P42685 1/20 0.36
SYK P43405 1/20 0.36
CAMK1D Q8IU85 1/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL424441 1.00 GRM4 (0.42) GRM4LRRK2SIGMAR1AKT1KDM4E
SCHEMBL427799 0.85 MAPT (0.52) KDM4ELMNAMEN1KMT2AL3MBTL1
SCHEMBL4400056 0.85 MAPT (0.52) KDM4ELMNAMEN1KMT2AL3MBTL1
SCHEMBL429881 0.85 SIGMAR1 (0.39) SIGMAR1AKT1KDM4ELMNAMEN1
SCHEMBL427798 0.85 MAPT (0.52) KDM4ELMNAMEN1KMT2AL3MBTL1
SCHEMBL429880 0.85 SIGMAR1 (0.39) SIGMAR1AKT1KDM4ELMNAMEN1
SCHEMBL429033 0.85 SIGMAR1 (0.40) GRM4LRRK2SIGMAR1KDM4ELMNA
SCHEMBL429032 0.85 SIGMAR1 (0.40) GRM4LRRK2SIGMAR1KDM4ELMNA
SCHEMBL13759313 0.84 CRHR1 (0.41) GRM4SIGMAR1MEN1KMT2AMAOB
SCHEMBL425948 0.84 SIGMAR1 (0.40) SIGMAR1AKT1KDM4ELMNAMEN1

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 14 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-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 GRM4 2850/4885LRRK2 2027/4885SIGMAR1 3553/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 GRM4 4673/4885LRRK2 4718/4885SIGMAR1 4309/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 GRM4 2087/4885LRRK2 3550/4885SIGMAR1 3961/4885
US-20100173413-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 GRM4 2850/4885LRRK2 2027/4885SIGMAR1 3553/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 GRM4 2850/4885LRRK2 2027/4885SIGMAR1 3553/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 GRM4 4294/4885LRRK2 4272/4885SIGMAR1 4405/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 GRM4 2087/4885LRRK2 3550/4885SIGMAR1 3961/4885

“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.