SCHEMBL14647231

SCHEMBL14647231

O=c1[nH]c2cc(CN3CCN(c4ccc(Cl)cn4)CC3)cn2c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.49
TNK2 Q07912 1/20 0.49
TNK1 Q13470 1/20 0.49
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 4/20 0.39
DRD4 P21917 4/20 0.39
PARP2 Q9UGN5 2/20 0.39
TNKS O95271 2/20 0.39
KCNH2 Q12809 1/20 0.39
HTR7 P34969 2/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL14647242 0.86 PARP1 (0.51) PARP1TNK1ALDH1A1MAPTDRD2
SCHEMBL14647220 0.86 TP53 (0.47) PARP1MAPTDRD2DRD4TNKS
SCHEMBL14647224 0.85 DRD4 (0.52) ALDH1A1MAPTL3MBTL1DRD2DRD4
SCHEMBL14647223 0.82 SIGMAR1 (0.45) PARP1ALDH1A1HTR7SIGMAR1
SCHEMBL14647217 0.81 DRD4 (0.48) PARP1DRD2DRD4HTR7HTR1A
SCHEMBL14647175 0.80 MGLL (0.49) PARP1ALDH1A1MAPT
SCHEMBL14647115 0.79 PARP1 (0.43) PARP1DRD4PARP2KCNH2HTR7
SCHEMBL14647194 0.79 PARP1 (0.47) PARP1ALDH1A1
SCHEMBL14647243 0.79 HTR7 (0.47) PARP1MAPTDRD2DRD4HTR7
SCHEMBL14647226 0.79 TNKS (0.43) PARP1TNKSHTR1AHTR2C

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 14 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-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2014-05-21 EP 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 PARP1 1/4885TNK2 1303/4885TNK1 1376/4885

“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.