SCHEMBL14647166

SCHEMBL14647166

O=c1[nH]c2cc(CN3CCN(c4ccc(F)cc4F)CC3)cn2c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.49
KCNH2 Q12809 2/20 0.49
PARP2 Q9UGN5 2/20 0.45
ADRA1B P35368 3/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
HTR1A P08908 2/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
HTR6 P50406 2/20 0.40
HTR7 P34969 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
IKZF3 Q9UKT9 1/20 0.39
CHRM4 P08173 1/20 0.39
GRM5 P41594 1/20 0.38
GRM2 Q14416 1/20 0.38
SPR P35270 1/20 0.38
TNK2 Q07912 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
SCHEMBL14647239 0.91 KDM4E (0.46) ADRA1BADRA1DADRA1AHTR1ADRD2
SCHEMBL15979574 0.90 PARP1 (0.49) PARP1KCNH2PARP2HTR1ADRD2
SCHEMBL14647213 0.88 MAPK1 (0.49) PARP1ADRA1BADRA1DADRA1AHTR1A
SCHEMBL14647183 0.87 PARP1 (0.46) PARP1DRD2DRD4DRD3TNK2
SCHEMBL14647226 0.87 TNKS (0.43) PARP1HTR1A
SCHEMBL14647187 0.85 DRD4 (0.43) PARP1HTR1ADRD2DRD4DRD3
SCHEMBL14647173 0.83 DRD2 (0.38) PARP1KCNH2ADRA1BADRA1DADRA1A
SCHEMBL15979572 0.83 DRD2 (0.47) PARP1ADRA1BHTR1ADRD2DRD4
SCHEMBL14647125 0.82 HTR7 (0.52) PARP1HTR1ADRD2DRD4DRD3
SCHEMBL14647217 0.82 DRD4 (0.48) PARP1HTR1ADRD2DRD4DRD3

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-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
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 1/4885KCNH2 2650/4885PARP2 3/4885

“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.