SCHEMBL4365879

SCHEMBL4365879

Cc1ccc(Cl)cc1-c1ncnc(Nc2ccc(Cl)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 8/20 0.56
ADORA3 P0DMS8 1/20 0.54
SLC6A2 P23975 1/20 0.54
PDE4A P27815 1/20 0.54
KDR P35968 1/20 0.54
SCN9A Q15858 2/20 0.47
KCNH2 Q12809 1/20 0.47
SCN5A Q14524 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TNNI3K Q59H18 2/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
STK17A Q9UEE5 2/20 0.43
PLK1 P53350 1/20 0.43
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
STK17B O94768 1/20 0.41

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
SCHEMBL4361915 0.79 AGPAT2 (0.85) AGPAT2ADORA3SLC6A2PDE4AKDR
SCHEMBL4539786 0.78 AGPAT2 (0.60) AGPAT2GAA
SCHEMBL4362302 0.77 AGPAT2 (0.77) AGPAT2
SCHEMBL2622390 0.76 AGPAT2 (0.62) AGPAT2RAB9ANPC1
SCHEMBL4362048 0.74 AGPAT2 (0.81) AGPAT2KDM4ERAB9ANPC1
SCHEMBL4373020 0.74 AGPAT2 (0.77) AGPAT2NPC1
SCHEMBL4371820 0.73 AGPAT2 (0.76) AGPAT2ADORA3SLC6A2PDE4AKDR
SCHEMBL2622392 0.73 AGPAT2 (0.58) AGPAT2GAANPC1
SCHEMBL14722999 0.73 AGPAT2 (0.53) AGPAT2GAATNNI3KFGFR2FGFR3
SCHEMBL4359673 0.73 AGPAT2 (0.71) AGPAT2GAA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 US claimed
EP-2550257-B1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2016-12-21 EP disclosed
US-7618968-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-11-17 US disclosed
US-7618968-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-11-17 US disclosed
US-7618968-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-11-17 US disclosed
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2008-03-13 US disclosed
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2008-03-13 US disclosed
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2008-03-13 US disclosed
US-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 US disclosed
US-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 US disclosed
US-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 US disclosed
US-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2003-08-14 US disclosed
WO-2003037346-A1 6-PHENYL-N-PHENYL-(1,3,5) -TRIAZINE-2,4-DIAMINE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOPHPHOSPHATIDIC ACID ACYLTRANSFERASE BETA (LPAAT-BETA) INHIBITORY ACTIVITY FOR USE IN THE TREATMENT OF CANCER CELL THERAPEUTICS, INC. (US) 2003-05-08 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 (2 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-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 39/4885ADORA3 2996/4885SLC6A2 982/4885
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 35/4885ADORA3 2967/4885SLC6A2 1538/4885

“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.