SCHEMBL874689

SCHEMBL874689

O=c1[nH]nnc2ccc(F)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.54
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
TYMS P04818 3/20 0.43
TNKS O95271 4/20 0.41
TNKS2 Q9H2K2 4/20 0.41
CASP3 P42574 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
SCHEMBL10985206 0.85 DAO (0.43) PARP1TYMSTNKSTNKS2CASP3
SCHEMBL30089426 0.85 DAO (0.43) PARP1TYMSTNKSTNKS2CASP3
SCHEMBL3262503 0.78 PIM1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1841772 0.78 PARP1 (0.54) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL874078 0.78 PARP1 (0.54) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17150325 0.77 PARP1 (0.46) PARP1TNKSTNKS2KDM4EMAPT
SCHEMBL1844924 0.77 IP6K1 (0.33) PARP1IP6K1
SCHEMBL9483856 0.75 IP6K1 (0.38) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL874998 0.74 KDM4E (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17950461 0.74 IP6K1 (0.37) PARP1TUBB4ATUBBTUBA3CTUBA1B

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 16 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
WO-2015150366-A1 CYCLICALLY SUBSTITUTED PHENOL ETHER DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-08 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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 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-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP 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
WO-2012038942-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

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-20130302378-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP25 PARP1 1037/4885TUBB4A 2890/4885TUBB 2461/4885
US-20130295141-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP25 PARP1 1037/4885TUBB4A 2890/4885TUBB 2461/4885
US-20100081610-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP12 PARP1 1162/4885TUBB4A 2906/4885TUBB 2454/4885
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 PARP1 462/4885TUBB4A 3050/4885TUBB 2633/4885

“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.