SCHEMBL1602906

SCHEMBL1602906

COCCN(C)c1nc(OCCN2CCOCC2)nc(C(=O)Nc2ccc3[nH]c(C)c(C)c3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
HTR2A P28223 4/20 0.37
TERT O14746 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
NR3C1 P04150 1/20 0.37
KCNH2 Q12809 1/20 0.36
AURKB Q96GD4 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL13759272 0.94 GRM4 (0.39) GRM4KDM4EALDH1A1L3MBTL1HTR2A
SCHEMBL423095 0.87 CYP3A4 (0.40) GRM4MAPTAURKBRAB9ASIGMAR1
SCHEMBL423890 0.84 KDM4E (0.41) GRM4KDM4EALDH1A1L3MBTL1HTR2A
SCHEMBL427140 0.81 GRM4 (0.45) GRM4KDM4EALDH1A1L3MBTL1HTR2A
SCHEMBL13759270 0.80 CYP3A4 (0.42) GRM4KDM4EALDH1A1MAPTAURKB
SCHEMBL430538 0.79 GRM4 (0.43) GRM4KDM4EALDH1A1L3MBTL1HTR2A
SCHEMBL11926308 0.77 KDM4E (0.43) KDM4EALDH1A1L3MBTL1RAF1BRAF
SCHEMBL13759370 0.77 GRM4 (0.43) GRM4KDM4EALDH1A1L3MBTL1HTR2A
SCHEMBL4151968 0.77 MAPK1 (0.41) KDM4EALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL430839 0.76 GRM4 (0.42) GRM4KDM4EALDH1A1L3MBTL1RAF1

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-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US claimed
WO-2006053109-A1 HETEROARYL COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 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-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US disclosed
US-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US disclosed
US-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 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-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 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-20060122156-A1 Heteroaryl compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-06-08 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 (5 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 GRM4 4673/4885KDM4E 3825/4885ALDH1A1 1903/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 GRM4 2087/4885KDM4E 1015/4885ALDH1A1 3468/4885
US-20060122156-A1 Heteroaryl compounds IL2, CCL11, IL4 GRM4 3397/4885KDM4E 4005/4885ALDH1A1 715/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 GRM4 4294/4885KDM4E 2869/4885ALDH1A1 747/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 GRM4 2087/4885KDM4E 1015/4885ALDH1A1 3468/4885

“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.