SCHEMBL3532271

SCHEMBL3532271

Oc1ccc(-c2nnc(Nc3ccc(Cl)cc3)o2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.74
GSK3B P49841 10/20 0.70
VCP P55072 1/20 0.59
ACHE P22303 2/20 0.58
QPCT Q16769 1/20 0.56
NPC1 O15118 2/20 0.52
TP53 P04637 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGS2 P35354 1/20 0.52
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
HDAC1 Q13547 2/20 0.51

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
SCHEMBL17377392 1.00 SPHK2 (0.74) SPHK2GSK3BVCPACHEQPCT
SCHEMBL19075484 0.85 SPHK2 (0.74) SPHK2GSK3BACHENPC1TP53
SCHEMBL17377366 0.85 SPHK2 (1.00) SPHK2GSK3BACHENPC1TP53
SCHEMBL28615859 0.84 GSK3B (0.78) SPHK2GSK3BVCPACHENPC1
SCHEMBL17377349 0.84 GSK3B (0.78) SPHK2GSK3BVCPACHENPC1
SCHEMBL27837901 0.84 GSK3B (0.78) GSK3BACHEQPCTNPC1TP53
SCHEMBL3534097 0.83 SPHK2 (0.59) SPHK2GSK3BVCPACHENPC1
SCHEMBL17377390 0.82 GSK3B (1.00) SPHK2GSK3BACHEQPCTNPC1
SCHEMBL17377364 0.82 GSK3B (0.62) SPHK2GSK3BACHEQPCTSMN1; SMN2
SCHEMBL17383549 0.82 GSK3B (0.62) SPHK2GSK3BACHEQPCTNPC1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
EP-2532653-A1 Benzo[1,2,4]triazines as protein kinase modulators Targegen, Inc. (US) 2012-12-12 EP disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
CN-101654452-A Heterocyclic compounds and methods of use. TARGEGEN INC US 2010-02-24 CN disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
EP-1799656-A4 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN INC (US) 2009-09-02 EP disclosed
EP-1799656-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Targegen, Inc. (US) 2007-06-27 EP disclosed
US-20060079526-A1 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2006-04-13 US disclosed
WO-2006024034-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2006-03-02 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 (4 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS SPHK2 2502/4885GSK3B 2586/4885VCP 3885/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS SPHK2 2502/4885GSK3B 2586/4885VCP 3885/4885
US-20060079526-A1 Heterocyclic compounds and methods of use AADAC, NISCH, PAICS SPHK2 2502/4885GSK3B 2586/4885VCP 3885/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS SPHK2 2502/4885GSK3B 2586/4885VCP 3885/4885

“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.