SCHEMBL425402

SCHEMBL425402

N/N=C(\c1cccc(C(=O)O)c1)c1cc(N2CCOCC2)cc(OCCN2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.45
KDM5A P29375 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
DDR2 Q16832 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SIGMAR1 Q99720 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK14 Q16539 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL425404 1.00 KMO (0.45) KMOKDM5AKDM5BDDR2KDM4E
SCHEMBL430391 0.93 DDR2 (0.42) KMODDR2KDM4ETP53TSHR
SCHEMBL430389 0.93 DDR2 (0.42) KMODDR2KDM4ETP53TSHR
SCHEMBL425820 0.91 MRGPRX4 (0.47) DDR2TP53MEN1KMT2ASIGMAR1
SCHEMBL425347 0.90 DDR2 (0.42) DDR2MEN1KMT2ASIGMAR1L3MBTL1
SCHEMBL425345 0.90 DDR2 (0.42) DDR2MEN1KMT2ASIGMAR1L3MBTL1
SCHEMBL425413 0.89 MAPK14 (0.43) DDR2MAPK14CNR1CNR2
SCHEMBL425411 0.89 MAPK14 (0.43) DDR2MAPK14CNR1CNR2
SCHEMBL425298 0.89 L3MBTL1 (0.48) KDM4ETP53MEN1KMT2ASIGMAR1
SCHEMBL425301 0.88 CASR (0.42) DDR2KDM4EMEN1KMT2ASIGMAR1

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 KMO 769/4885KDM5A 2646/4885KDM5B 2051/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 KMO 2181/4885KDM5A 2690/4885KDM5B 2958/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 KMO 4699/4885KDM5A 1268/4885KDM5B 794/4885
US-20100173413-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 KMO 769/4885KDM5A 2646/4885KDM5B 2051/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 KMO 769/4885KDM5A 2646/4885KDM5B 2051/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 KMO 1654/4885KDM5A 1486/4885KDM5B 1172/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 KMO 4699/4885KDM5A 1268/4885KDM5B 794/4885

“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.