SCHEMBL427739

SCHEMBL427739

COc1ccc2c(c1)CCC/C2=N/Nc1cc(N2CCOCC2)nc(OCCN2CCOCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
PTPN1 P18031 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 5/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
TYK2 P29597 2/20 0.39
SYK P43405 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
FES P07332 1/20 0.39
FER P16591 1/20 0.39
FRK P42685 1/20 0.39
CAMK1D Q8IU85 1/20 0.39
PIKFYVE Q9Y2I7 1/20 0.39
BRSK1 Q8TDC3 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL10196557 1.00 GAA (0.42) GAAPTPN1L3MBTL1TSHRKDM4E
SCHEMBL427740 1.00 GAA (0.42) GAAPTPN1L3MBTL1TSHRKDM4E
SCHEMBL10196897 0.95 TSHR (0.41) GAAPTPN1L3MBTL1TSHRKDM4E
SCHEMBL431320 0.95 TSHR (0.41) GAAPTPN1L3MBTL1TSHRKDM4E
SCHEMBL431319 0.95 TSHR (0.41) GAAPTPN1L3MBTL1TSHRKDM4E
SCHEMBL429378 0.94 L3MBTL1 (0.39) GAAPTPN1L3MBTL1TSHRKDM4E
SCHEMBL429379 0.94 L3MBTL1 (0.39) GAAPTPN1L3MBTL1TSHRKDM4E
SCHEMBL10198827 0.94 L3MBTL1 (0.39) GAAPTPN1L3MBTL1TSHRKDM4E
SCHEMBL423096 0.89 KDM4E (0.46) GAAL3MBTL1KDM4EMAPK1TYK2
SCHEMBL423097 0.89 KDM4E (0.46) GAAL3MBTL1KDM4EMAPK1TYK2

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 15 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-20110294798-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 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
WO-2006124662-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-11-23 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 (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 GAA 2575/4885PTPN1 860/4885L3MBTL1 4848/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 GAA 3596/4885PTPN1 927/4885L3MBTL1 1129/4885
US-20060281711-A1 IL-12 modulatory compounds IL2, IL4, IL15 GAA 4353/4885PTPN1 2073/4885L3MBTL1 4812/4885
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IL15 GAA 4353/4885PTPN1 2073/4885L3MBTL1 4812/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 GAA 2317/4885PTPN1 708/4885L3MBTL1 3992/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 GAA 3596/4885PTPN1 927/4885L3MBTL1 1129/4885

“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.