SCHEMBL431209

SCHEMBL431209

Cc1ccc(N)c(NN=Cc2nc(OCCN3CCOCC3)cc(N3CCOCC3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
FES P07332 1/20 0.41
FER P16591 1/20 0.41
TYK2 P29597 1/20 0.41
FRK P42685 1/20 0.41
SYK P43405 1/20 0.41
CAMK1D Q8IU85 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
PIKFYVE Q9Y2I7 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ACHE P22303 1/20 0.38
AKT1 P31749 2/20 0.37
SIGMAR1 Q99720 3/20 0.37
HTR2B P41595 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
ATM Q13315 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
SCHEMBL431208 1.00 L3MBTL1 (0.41) L3MBTL1FESFERTYK2FRK
SCHEMBL301993 0.86 MAPT (0.42) L3MBTL1FESFERTYK2FRK
SCHEMBL301994 0.86 MAPT (0.42) L3MBTL1FESFERTYK2FRK
SCHEMBL303086 0.85 TYK2 (0.59) L3MBTL1FESFERTYK2FRK
SCHEMBL303087 0.85 TYK2 (0.59) L3MBTL1FESFERTYK2FRK
SCHEMBL427340 0.85 MAPT (0.47) L3MBTL1FESFERTYK2FRK
SCHEMBL427341 0.85 MAPT (0.47) L3MBTL1FESFERTYK2FRK
SCHEMBL430727 0.84 SIGMAR1 (0.39) MAPTKDM4ELMNAHPGDACHE
SCHEMBL430726 0.84 SIGMAR1 (0.39) MAPTKDM4ELMNAHPGDACHE
SCHEMBL10196492 0.84 SIGMAR1 (0.39) MAPTKDM4ELMNAHPGDACHE

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 L3MBTL1 4848/4885FES 2650/4885FER 3265/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 L3MBTL1 1129/4885FES 4592/4885FER 2503/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 L3MBTL1 3589/4885FES 3993/4885FER 3987/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 L3MBTL1 3992/4885FES 1524/4885FER 2106/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 L3MBTL1 1129/4885FES 4592/4885FER 2503/4885

“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.