SCHEMBL428542

SCHEMBL428542

Cc1[nH]c2ccc(Nc3cc(OCCN4CCOCC4)cc(N4CCOCC4)n3)cc2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
TTK P33981 1/20 0.46
AURKB Q96GD4 1/20 0.46
MAOA P21397 1/20 0.42
AIMP2 Q13155 1/20 0.42
ACHE P22303 1/20 0.41
SYK P43405 1/20 0.40
GRM4 Q14833 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KIT P10721 2/20 0.39
FLT3 P36888 2/20 0.39
BACE1 P56817 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AXL P30530 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
NPC1 O15118 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
SCHEMBL430604 0.96 AIMP2 (0.47) AURKACCNA2CDK2TTKAURKB
SCHEMBL429008 0.87 HSD17B10 (0.40) AURKAAURKBHSD17B10KDM4EALDH1A1
SCHEMBL426346 0.87 AURKA (0.46) AURKACCNA2CDK2TTKAURKB
SCHEMBL14530470 0.84 AURKA (0.43) AURKACCNA2CDK2TTKAURKB
SCHEMBL425505 0.84 GRM4 (0.45) GRM4HSD17B10KDM4EALDH1A1
SCHEMBL2672779 0.84 CSF1R (0.43) SYKKITKDM4EALDH1A1
SCHEMBL430146 0.83 AURKA (0.37) AURKAAURKBHSD17B10KDM4EALDH1A1
SCHEMBL425961 0.83 AIMP2 (0.50) AURKACCNA2CDK2TTKAURKB
SCHEMBL428248 0.83 P2RX3 (0.38) AURKAAURKBHSD17B10KDM4EALDH1A1
SCHEMBL13759184 0.83 AURKA (0.44) AURKACCNA2CDK2TTKAURKB

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 27 patents — showing the first 20. 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-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-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-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-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-20080167300-A1 PYRIDINE COMPOUNDS MADRIGAL PHARMACEUTICALS, INC. 2008-07-10 US disclosed
US-7338951-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-03-04 US disclosed
US-7338951-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-03-04 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 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 (6 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 AURKA 1791/4885CCNA2 2539/4885CDK2 1637/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 AURKA 4145/4885CCNA2 2247/4885CDK2 2901/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 AURKA 4825/4885CCNA2 2248/4885CDK2 3233/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 AURKA 1791/4885CCNA2 2539/4885CDK2 1637/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 AURKA 3139/4885CCNA2 1953/4885CDK2 1737/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 AURKA 4825/4885CCNA2 2248/4885CDK2 3233/4885

“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.