SCHEMBL423097

SCHEMBL423097

COc1cc2c(cc1OC)C(=NNc1cc(N3CCOCC3)nc(OCCN3CCOCC3)n1)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SYK P43405 3/20 0.40
ACHE P22303 1/20 0.38
CHRNA7 P36544 1/20 0.38
TYK2 P29597 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
FES P07332 1/20 0.38
FER P16591 1/20 0.38
FRK P42685 1/20 0.38
CAMK1D Q8IU85 1/20 0.38
PIKFYVE Q9Y2I7 1/20 0.38
BRSK1 Q8TDC3 1/20 0.37
CHEK1 O14757 4/20 0.37
SRC P12931 2/20 0.36
HTR1A P08908 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
SCHEMBL10196006 1.00 KDM4E (0.46) KDM4EALDH1A1GAAHPGDMAPK1
SCHEMBL423096 1.00 KDM4E (0.46) KDM4EALDH1A1GAAHPGDMAPK1
SCHEMBL427740 0.89 GAA (0.42) KDM4EALDH1A1GAAHPGDMAPK1
SCHEMBL427739 0.89 GAA (0.42) KDM4EALDH1A1GAAHPGDMAPK1
SCHEMBL10196557 0.89 GAA (0.42) KDM4EALDH1A1GAAHPGDMAPK1
SCHEMBL429379 0.89 L3MBTL1 (0.39) KDM4EALDH1A1GAAHPGDSYK
SCHEMBL10198827 0.89 L3MBTL1 (0.39) KDM4EALDH1A1GAAHPGDSYK
SCHEMBL429378 0.89 L3MBTL1 (0.39) KDM4EALDH1A1GAAHPGDSYK
SCHEMBL13759284 0.86 KDM4E (0.43) KDM4EALDH1A1GAAHPGDMAPK1
SCHEMBL427061 0.85 USP2 (0.46) KDM4EALDH1A1HPGDSYKTYK2

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-8263764-B2 IL-12 Modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-09-11 US claimed
US-7863270-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2011-01-04 US claimed
US-20060281711-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-12-14 US claimed
WO-2006124662-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-11-23 WO claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-8263764-B2 IL-12 Modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-09-11 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-7863270-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2011-01-04 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-20060281711-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-12-14 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 KDM4E 3825/4885ALDH1A1 1903/4885GAA 2575/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 KDM4E 1015/4885ALDH1A1 3468/4885GAA 3596/4885
US-20060281711-A1 IL-12 modulatory compounds IL2, IL4, IL15 KDM4E 3767/4885ALDH1A1 1007/4885GAA 4353/4885
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IL15 KDM4E 3767/4885ALDH1A1 1007/4885GAA 4353/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 KDM4E 2869/4885ALDH1A1 747/4885GAA 2317/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 KDM4E 1015/4885ALDH1A1 3468/4885GAA 3596/4885

“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.