SCHEMBL426836

SCHEMBL426836

Cc1cccc(C(=NN)c2cc(N3CCOCC3)nc(OCCN3CCOC3=O)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PIK3CB P42338 6/20 0.39
PIK3CD O00329 5/20 0.39
PIK3CA P42336 5/20 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
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIK3CG P48736 2/20 0.37
RAF1 P04049 2/20 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
SCHEMBL426834 1.00 LRRK2 (0.40) LRRK2KDM4EPIK3CBPIK3CDPIK3CA
SCHEMBL423708 0.86 MAPT (0.38) LRRK2KDM4EPIK3CBPIK3CDPIK3CA
SCHEMBL431196 0.86 PKM (0.38) LRRK2KDM4EPIK3CBPIK3CDPIK3CA
SCHEMBL423706 0.86 MAPT (0.38) LRRK2KDM4EPIK3CBPIK3CDPIK3CA
SCHEMBL424161 0.86 LRRK2 (0.39) LRRK2KDM4EPIK3CBPIK3CDPIK3CA
SCHEMBL431198 0.86 PKM (0.38) LRRK2KDM4EPIK3CBPIK3CDPIK3CA
SCHEMBL424163 0.86 LRRK2 (0.39) LRRK2KDM4EPIK3CBPIK3CDPIK3CA
SCHEMBL302070 0.83 TYK2 (0.43) KDM4EPIK3CBPIK3CDPIK3CATYK2
SCHEMBL302068 0.83 TYK2 (0.43) KDM4EPIK3CBPIK3CDPIK3CATYK2
SCHEMBL302590 0.82 KDM4E (0.41) KDM4EPIK3CBPIK3CDPIK3CATYK2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935698-B2 Heteroaryl-hydrazone compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-05-03 US claimed
US-20050282809-A1 Heteroaryl-hydrazone compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-12-22 US 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-7935698-B2 Heteroaryl-hydrazone compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-05-03 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
EP-1689403-A4 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2007-09-05 EP disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
EP-1689403-A2 HETEROARYL-HYDRAZONE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-16 EP disclosed
US-20050282809-A1 Heteroaryl-hydrazone compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-12-22 US disclosed
WO-2005046604-A2 HETEROARYL-HYDRAZONE 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 (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 LRRK2 4718/4885KDM4E 3825/4885PIK3CB 2249/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 LRRK2 3550/4885KDM4E 1015/4885PIK3CB 2892/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 LRRK2 3119/4885KDM4E 2476/4885PIK3CB 3630/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 LRRK2 4272/4885KDM4E 2869/4885PIK3CB 2321/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 LRRK2 3550/4885KDM4E 1015/4885PIK3CB 2892/4885

“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.