SCHEMBL425540

SCHEMBL425540

COc1cc2nc(N3CCOCC3)nc(C(=O)Nc3ccc4c(c3)c(C)c(C)n4C)c2cc1OCCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.49
MET P08581 8/20 0.47
PDGFRB P09619 3/20 0.47
EGFR P00533 7/20 0.47
KDR P35968 5/20 0.47
AURKA O14965 1/20 0.46
ROCK2 O75116 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
RET P07949 1/20 0.46
MAPT P10636 1/20 0.46
SRC P12931 1/20 0.46
PDGFRA P16234 1/20 0.46
LTK P29376 1/20 0.46
TTK P33981 1/20 0.46
MAP2K2 P36507 1/20 0.46
MAP2K1 Q02750 1/20 0.46
BTK Q06187 1/20 0.46
TYRO3 Q06418 1/20 0.46

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
SCHEMBL427071 0.86 MAPK14 (0.49) MAPK14METPDGFRBEGFRKDR
SCHEMBL14412724 0.83 MAPK14 (0.51) MAPK14METPDGFRBEGFRKDR
SCHEMBL427421 0.81 GRM4 (0.47) ALDH1A1LCKMAPT
SCHEMBL4114688 0.80 EHMT2 (0.51) PDGFRBEGFRKDR
SCHEMBL11926300 0.76 GRM4 (0.47) MAPK14KDRALDH1A1MAPT
SCHEMBL13759150 0.75 EHMT2 (0.56) MAPK14EGFRKDR
SCHEMBL4121881 0.75 BRAF (0.67) MAPK14EGFRKDRROCK2
SCHEMBL13759166 0.75 EGFR (0.40) METEGFRKDRAURKAROCK2
SCHEMBL430843 0.74 BRAF (0.56) MAPK14PDGFRBEGFRKDRROCK2
SCHEMBL11926373 0.74 RAF1 (0.40) ALDH1A1MAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687002-A4 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2008-07-23 EP claimed
JP-2007510745-A 2007-04-26 JP claimed
EP-1687002-A1 FUSED HETEROCYCLIC COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP claimed
WO-2005046698-A1 FUSED HETEROCYCLIC 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-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 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-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-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US disclosed
EP-1687002-A4 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2008-07-23 EP 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
EP-1687002-A1 FUSED HETEROCYCLIC COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP disclosed
WO-2005046698-A1 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO 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 (4 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-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 MAPK14 1086/4885MET 1554/4885PDGFRB 1934/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 MAPK14 405/4885MET 3482/4885PDGFRB 1867/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPK14 3031/4885MET 3578/4885PDGFRB 3104/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MAPK14 3031/4885MET 3578/4885PDGFRB 3104/4885

“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.