SCHEMBL428748

SCHEMBL428748

COc1cc2nc(N3CCOCC3)nc(NC(=O)Nc3cccc(C(N)=O)c3)c2cc1OCCN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.55
EGFR P00533 7/20 0.55
KDR P35968 4/20 0.55
MTOR P42345 2/20 0.53
RAF1 P04049 6/20 0.51
ROCK2 O75116 2/20 0.49
AURKA O14965 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
RET P07949 1/20 0.49
MET P08581 1/20 0.49
MAPT P10636 1/20 0.49
SRC P12931 1/20 0.49
PDGFRA P16234 1/20 0.49
LTK P29376 1/20 0.49
TTK P33981 1/20 0.49
MAP2K2 P36507 1/20 0.49
MAP2K1 Q02750 1/20 0.49
BTK Q06187 1/20 0.49

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
SCHEMBL429216 0.91 BRAF (0.54) BRAFEGFRKDRRAF1ROCK2
SCHEMBL4121881 0.90 BRAF (0.67) BRAFEGFRKDRRAF1ROCK2
SCHEMBL426756 0.89 BRAF (0.56) BRAFEGFRKDRRAF1ROCK2
SCHEMBL424206 0.88 BRAF (0.55) BRAFEGFRKDRRAF1ROCK2
SCHEMBL13759146 0.88 MTOR (0.51) BRAFEGFRKDRMTORROCK2
SCHEMBL13759150 0.85 EHMT2 (0.56) EGFRKDRMAPK14
SCHEMBL426012 0.84 EGFR (0.52) BRAFEGFRKDRRAF1ROCK2
SCHEMBL426721 0.83 ROCK2 (0.51) BRAFEGFRKDRRAF1ROCK2
SCHEMBL425606 0.83 EGFR (0.49) BRAFEGFRKDRRAF1ROCK2
SCHEMBL426005 0.81 EGFR (0.57) BRAFEGFRKDRROCK2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US claimed
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
US-20050250770-A1 Fused heterocyclic compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US 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-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-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
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
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
US-20050250770-A1 Fused heterocyclic compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US 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-20050250770-A1 Fused heterocyclic compounds IL2, IL4, IL15 BRAF 3320/4885EGFR 2725/4885KDR 3240/4885
US-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 BRAF 4124/4885EGFR 3409/4885KDR 3480/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 BRAF 892/4885EGFR 4490/4885KDR 4489/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 BRAF 892/4885EGFR 4490/4885KDR 4489/4885

“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.