SCHEMBL429030

SCHEMBL429030

Oc1ccc(NN=Cc2nc(OCCN3CCOCC3)cc(N3CCOCC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
GAA P10253 4/20 0.42
POLB P06746 3/20 0.42
SENP7 Q9BQF6 3/20 0.42
SENP6 Q9GZR1 3/20 0.42
LMNA P02545 3/20 0.42
APAF1 O14727 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PAX8 Q06710 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKT1 P31749 2/20 0.39
NSD2 O96028 1/20 0.39
MAPK1 P28482 1/20 0.39
MPI P34949 1/20 0.39
SIGMAR1 Q99720 2/20 0.38

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
SCHEMBL429029 1.00 KDM4E (0.42) KDM4EKMT2AMAPTMEN1GAA
SCHEMBL302094 0.88 MAPT (0.52) KDM4EMAPTGAAPOLBLMNA
SCHEMBL302095 0.88 MAPT (0.52) KDM4EMAPTGAAPOLBLMNA
SCHEMBL426843 0.87 SIGMAR1 (0.49) KDM4EKMT2AMAPTGAALMNA
SCHEMBL426842 0.87 SIGMAR1 (0.49) KDM4EKMT2AMAPTGAALMNA
SCHEMBL427340 0.85 MAPT (0.47) KDM4EMAPTPOLBLMNAALDH1A1
SCHEMBL427341 0.85 MAPT (0.47) KDM4EMAPTPOLBLMNAALDH1A1
SCHEMBL430585 0.84 TYK2 (0.54) KDM4EKMT2AMAPTMEN1GAA
SCHEMBL430586 0.84 TYK2 (0.54) KDM4EKMT2AMAPTMEN1GAA
SCHEMBL428849 0.84 MAPT (0.43) KDM4EKMT2AMAPTMEN1GAA

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 9 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
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20050282809-A1 Heteroaryl-hydrazone compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-12-22 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 KDM4E 3825/4885KMT2A 4300/4885MAPT 238/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 KDM4E 1015/4885KMT2A 1509/4885MAPT 4316/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 KDM4E 2476/4885KMT2A 2176/4885MAPT 3534/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 KDM4E 2869/4885KMT2A 1939/4885MAPT 2815/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 KDM4E 1015/4885KMT2A 1509/4885MAPT 4316/4885

“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.