SCHEMBL430251

SCHEMBL430251

C(=NNc1cc(OCCN2CCOCC2)nc(N2CCOCC2)c1)c1coc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
DRD3 P35462 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AKT1 P31749 2/20 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
PIKFYVE Q9Y2I7 1/20 0.36
HTR2B P41595 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
SCHEMBL430250 1.00 SIGMAR1 (0.40) SIGMAR1MAOBNPC1RAB9AKDM4E
SCHEMBL4404431 1.00 SIGMAR1 (0.40) SIGMAR1MAOBNPC1RAB9AKDM4E
SCHEMBL425948 0.85 SIGMAR1 (0.40) SIGMAR1MAOBKDM4ELMNAL3MBTL1
SCHEMBL425947 0.85 SIGMAR1 (0.40) SIGMAR1MAOBKDM4ELMNAL3MBTL1
SCHEMBL14413067 0.85 SIGMAR1 (0.39) SIGMAR1MAOBKDM4EHTR2BMAPT
SCHEMBL427798 0.84 MAPT (0.52) NPC1RAB9AKDM4ELMNAL3MBTL1
SCHEMBL4400056 0.84 MAPT (0.52) NPC1RAB9AKDM4ELMNAL3MBTL1
SCHEMBL427799 0.84 MAPT (0.52) NPC1RAB9AKDM4ELMNAL3MBTL1
SCHEMBL13759309 0.84 CRHR1 (0.41) SIGMAR1MAOBHTR2BLTA4H
SCHEMBL429881 0.81 SIGMAR1 (0.39) SIGMAR1MAOBKDM4ELMNAL3MBTL1

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 SIGMAR1 3553/4885MAOB 1305/4885NPC1 507/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 SIGMAR1 4309/4885MAOB 1738/4885NPC1 1062/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 SIGMAR1 3961/4885MAOB 2406/4885NPC1 2090/4885
US-20100173413-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 SIGMAR1 3553/4885MAOB 1305/4885NPC1 507/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 SIGMAR1 3553/4885MAOB 1305/4885NPC1 507/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 SIGMAR1 4405/4885MAOB 2488/4885NPC1 3577/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 SIGMAR1 3961/4885MAOB 2406/4885NPC1 2090/4885

“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.