SCHEMBL428850

SCHEMBL428850

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 5/20 0.43
GAA P10253 4/20 0.43
MEN1 O00255 4/20 0.43
SENP7 Q9BQF6 3/20 0.43
SENP6 Q9GZR1 3/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 3/20 0.43
ALDH1A1 P00352 2/20 0.43
APAF1 O14727 2/20 0.43
PAX8 Q06710 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
JAK2 O60674 1/20 0.40
SYK P43405 1/20 0.40
NSD2 O96028 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL428849 1.00 MAPT (0.43) MAPTKDM4EKMT2AGAAMEN1
SCHEMBL302579 0.88 CYP3A4 (0.45) MAPTKDM4EKMT2AGAAMEN1
SCHEMBL302578 0.88 CYP3A4 (0.45) MAPTKDM4EKMT2AGAAMEN1
SCHEMBL429119 0.86 SIGMAR1 (0.45) MAPTKDM4EKMT2AMEN1SENP7
SCHEMBL302247 0.86 MAPT (0.51) MAPTKDM4EKMT2AGAAMEN1
SCHEMBL429120 0.86 SIGMAR1 (0.45) MAPTKDM4EKMT2AMEN1SENP7
SCHEMBL302248 0.86 MAPT (0.51) MAPTKDM4EKMT2AGAAMEN1
SCHEMBL302572 0.84 MAPT (0.42) MAPTKDM4EKMT2AGAAMEN1
SCHEMBL429029 0.84 KDM4E (0.42) MAPTKDM4EKMT2AGAAMEN1
SCHEMBL302573 0.84 MAPT (0.42) MAPTKDM4EKMT2AGAAMEN1

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 MAPT 238/4885KDM4E 3825/4885KMT2A 4300/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPT 4316/4885KDM4E 1015/4885KMT2A 1509/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 MAPT 3534/4885KDM4E 2476/4885KMT2A 2176/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MAPT 2815/4885KDM4E 2869/4885KMT2A 1939/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MAPT 4316/4885KDM4E 1015/4885KMT2A 1509/4885

“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.