SCHEMBL874607

SCHEMBL874607

O=c1[nH]nnc2cccc(Cl)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.54
PBRM1 Q86U86 1/20 0.42
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CHEK1 O14757 1/20 0.39
GUSB P08236 2/20 0.38
ELANE P08246 1/20 0.37
GAA P10253 1/20 0.37
PARP2 Q9UGN5 1/20 0.36
PDE10A Q9Y233 1/20 0.36
TYMS P04818 2/20 0.36
DAO P14920 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
CSF1R P07333 1/20 0.35

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
SCHEMBL6610267 0.78 PARP1 (0.38) PARP1GUSBGAADAO
SCHEMBL873756 0.78 PARP1 (0.54) PARP1TNKSTNKS2TYMS
SCHEMBL10882640 0.78 PARP1 (0.54) PARP1CHEK1ELANETYMS
SCHEMBL17950543 0.78 PDPK1 (0.44) PARP1GUSBELANETYMSPDGFRB
SCHEMBL17950745 0.78 PDPK1 (0.37) PARP1TNKS2TYMSCLK2GSK3B
SCHEMBL28960473 0.78 AXL (0.44) PARP1TYMSAURKAJAK2RPS6KA3
SCHEMBL874002 0.74 ELANE (0.45) GUSBELANEGAA
SCHEMBL28960472 0.73 TYMS (0.45) PARP1GUSBTYMS
SCHEMBL204654 0.72 NOS1 (0.44) PARP1CHEK1GAADAOCDK9
SCHEMBL10881189 0.70 GAA (0.49) PARP1CHEK1GAADYRK1AGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016116058-A1 TRIAZINE HETEROCYCLIC COMPOUND WITH NEMATICIDAL ACTIVITY AND PREPARATION METHOD THEREFOR AND USAGE THEREOF 华东理工大学 2016-07-28 WO disclosed
US-8846910-B2 Matrix metalloproteinase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2014-09-30 US disclosed
US-8816073-B2 Matrix metalloproteinase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2014-08-26 US disclosed
US-20130302378-A1 MATRIX METALLOPROTEINASE INHIBITORS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2013-11-14 US disclosed
US-20130295141-A1 MATRIX METALLOPROTEINASE INHIBITORS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2013-11-07 US disclosed
US-8507670-B2 Matrix metalloproteinase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2013-08-13 US disclosed
EP-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
EP-2074093-B1 PROCESS FOR PREPARING MATRIX METALLOPROTEINASE INHIBITORS AND CHIRAL AUXILIARY THEREFOR RANBAXY LAB LTD (IN) 2012-10-10 EP disclosed
EP-2474531-A2 Matrix metalloproteinase inhibitors Ranbaxy Laboratories Limited (IN) 2012-07-11 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed
EP-2322507-A1 Matrix metalloproteinase inhibitors Ranbaxy Laboratories Limited (IN) 2011-05-18 EP disclosed
US-20100081610-A1 MATRIX METALLOPROTEINASE INHIBITORS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2010-04-01 US disclosed
EP-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP disclosed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO disclosed
US-4520023-A FUNGICIDES, BACTERICIDES, ALGICIDES, SLIMICIDES BAYER AKTIENGESELLSCHAFT (DE) 1985-05-28 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 (3 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-20130302378-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP25 PARP1 1037/4885PBRM1 2071/4885TNKS 2417/4885
US-20130295141-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP25 PARP1 1037/4885PBRM1 2071/4885TNKS 2417/4885
US-20100081610-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP12 PARP1 1162/4885PBRM1 2075/4885TNKS 2406/4885

“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.