SCHEMBL425298

SCHEMBL425298

CCOC(=O)c1cccc(C(=NN)c2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
JMJD6 Q6NYC1 1/20 0.46
PIK3CA P42336 1/20 0.44
GAA P10253 4/20 0.43
MAPK1 P28482 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
MC4R P32245 1/20 0.43
HTT P42858 1/20 0.43
CLK1 P49759 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
TP53 P04637 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
MEN1 O00255 2/20 0.41

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
SCHEMBL425820 0.92 MRGPRX4 (0.47) L3MBTL1CASP7CASP6GAAMAPT
SCHEMBL425301 0.90 CASR (0.42) L3MBTL1CASP7CASP6GAAMEN1
SCHEMBL430391 0.89 DDR2 (0.42) L3MBTL1TP53MEN1KMT2AKDM4E
SCHEMBL430389 0.89 DDR2 (0.42) L3MBTL1TP53MEN1KMT2AKDM4E
SCHEMBL425404 0.89 KMO (0.45) L3MBTL1TP53MEN1KMT2AKDM4E
SCHEMBL425402 0.89 KMO (0.45) L3MBTL1TP53MEN1KMT2AKDM4E
SCHEMBL425345 0.88 DDR2 (0.42) L3MBTL1CASP7CASP6SMN1; SMN2MEN1
SCHEMBL425347 0.88 DDR2 (0.42) L3MBTL1CASP7CASP6SMN1; SMN2MEN1
SCHEMBL425814 0.84 SIGMAR1 (0.40) CASP7CASP6SIGMAR1
SCHEMBL426673 0.84 MAPT (0.42) L3MBTL1PIK3CAMAPTSMN1; SMN2HTT

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 13 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
US-7338951-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-03-04 US claimed
US-20050250774-A1 Pyridine compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US 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 L3MBTL1 4499/4885CASP7 833/4885CASP6 344/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 L3MBTL1 4848/4885CASP7 1449/4885CASP6 2207/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 L3MBTL1 1129/4885CASP7 821/4885CASP6 897/4885
US-20100173413-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 L3MBTL1 4499/4885CASP7 833/4885CASP6 344/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 L3MBTL1 4499/4885CASP7 833/4885CASP6 344/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 L3MBTL1 3992/4885CASP7 229/4885CASP6 361/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 L3MBTL1 1129/4885CASP7 821/4885CASP6 897/4885

“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.