SCHEMBL14647269

SCHEMBL14647269

O=c1[nH]c2cc(CN3CCC(c4ccccc4)CC3)cn2c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP1 P09874 7/20 0.45
PARP2 Q9UGN5 2/20 0.45
DRD2 P14416 5/20 0.45
DRD4 P21917 4/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
DRD3 P35462 2/20 0.44
MAT2A P31153 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
GRIK3 Q13003 1/20 0.41
GRIK5 Q16478 1/20 0.41
HTR7 P34969 1/20 0.40

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
SCHEMBL14647189 0.92 PARP1 (0.43) PARP1PARP2DRD2DRD4DRD3
SCHEMBL14647238 0.89 DRD2 (0.43) PARP1PARP2DRD2DRD4DRD3
SCHEMBL14647223 0.86 SIGMAR1 (0.45) KMT2APARP1KDM4EALDH1A1HTR7
SCHEMBL14647194 0.85 PARP1 (0.47) PARP1KDM4EALDH1A1
SCHEMBL14647157 0.84 PARP1 (0.54) PARP1PARP2
SCHEMBL14647160 0.84 PARP1 (0.52) PARP1PARP2
SCHEMBL14647197 0.83 MBTD1 (0.44) PARP1ALDH1A1
SCHEMBL14647217 0.82 DRD4 (0.48) PARP1DRD2DRD4DRD3HTR7
SCHEMBL14647225 0.82 PARP1 (0.48) PARP1
SCHEMBL14647171 0.81 PARP1 (0.48) PARP1HTR7

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
EP-2733144-B1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP claimed
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US claimed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US claimed
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 MEN1 3875/4885KMT2A 969/4885PARP1 1/4885

“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.