SCHEMBL14647140

SCHEMBL14647140

N#Cc1cc2[nH]c(=O)c3cc(F)ccc3n2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.38
PARP2 Q9UGN5 2/20 0.38
PARP3 Q9Y6F1 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
MIF P14174 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TDP2 O95551 2/20 0.33
DAO P14920 1/20 0.33
MAPT P10636 1/20 0.33
PGR P06401 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
FEN1 P39748 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL14647134 0.82 PARP1 (0.50) PARP1
SCHEMBL14647113 0.76 HDAC1 (0.42) PARP1HDAC1HDAC8HDAC6DAO
SCHEMBL14647144 0.71 GRIK1 (0.34) PARP1PARP2MAPTFEN1KDM4E
SCHEMBL14647192 0.67 PARP1 (0.46) PARP1PARP2MAPTKDM4EALDH1A1
SCHEMBL14647180 0.66 SMN1; SMN2 (0.51) MAPTKDM4EALDH1A1
SCHEMBL14977050 0.62 PARP1 (0.63) PARP1PARP2PARP3MIF
SCHEMBL29458471 0.61 PGR (0.54) HDAC1HDAC8HDAC6DAOPGR
SCHEMBL1381428 0.60 OPRM1 (0.45) PARP1PARP2HDAC1HDAC8HDAC6
SCHEMBL3232088 0.58 AR (0.38) KDM4EALDH1A1
SCHEMBL7273946 0.58 IMPDH2 (0.59) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2733144-B1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP disclosed
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US disclosed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US disclosed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US disclosed
EP-2733144-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2014-05-21 EP disclosed
EP-2733144-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2014-05-21 EP disclosed
WO-2013008872-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY 参天製薬株式会社 (JP) 2013-01-17 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 (1 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-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY PARP1, PARP11, PARP2 PARP1 1/4885PARP2 3/4885PARP3 5/4885

“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.