SCHEMBL423818

SCHEMBL423818

Oc1ccc(NN=Cc2cc(N3CCOCC3)nc(OCCN3CCCCC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.43
BACE1 P56817 2/20 0.41
AXL P30530 2/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 5/20 0.41
KDM4E B2RXH2 5/20 0.41
SENP7 Q9BQF6 3/20 0.41
SENP6 Q9GZR1 3/20 0.41
GAA P10253 3/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 3/20 0.41
APAF1 O14727 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PAX8 Q06710 1/20 0.41
FES P07332 1/20 0.40
FER P16591 1/20 0.40
TYK2 P29597 1/20 0.40
FRK P42685 1/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL423817 1.00 AKT1 (0.43) AKT1BACE1AXLKMT2AMAPT
SCHEMBL422963 0.88 BACE1 (0.44) AKT1BACE1AXLKMT2AKDM4E
SCHEMBL303511 0.88 MAPT (0.49) AKT1BACE1AXLMAPTKDM4E
SCHEMBL422962 0.88 BACE1 (0.44) AKT1BACE1AXLKMT2AKDM4E
SCHEMBL303512 0.88 MAPT (0.49) AKT1BACE1AXLMAPTKDM4E
SCHEMBL10195970 0.85 GAA (0.44) KMT2AMAPTMEN1KDM4ESENP7
SCHEMBL301998 0.85 GAA (0.44) KMT2AMAPTMEN1KDM4ESENP7
SCHEMBL301999 0.85 GAA (0.44) KMT2AMAPTMEN1KDM4ESENP7
SCHEMBL426577 0.83 AKT1 (0.44) AKT1BACE1AXLMAPTKDM4E
SCHEMBL426576 0.83 AKT1 (0.44) AKT1BACE1AXLMAPTKDM4E

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 AKT1 2110/4885BACE1 729/4885AXL 3934/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 AKT1 1549/4885BACE1 4098/4885AXL 4867/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 AKT1 1774/4885BACE1 1740/4885AXL 3911/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 AKT1 3046/4885BACE1 3915/4885AXL 4269/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 AKT1 1549/4885BACE1 4098/4885AXL 4867/4885

“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.