SCHEMBL14647191

SCHEMBL14647191

O=c1[nH]c2cc(CN3CCN(c4ccccn4)CC3)cn2c2ccc(F)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.51
DRD3 P35462 4/20 0.51
DRD2 P14416 3/20 0.51
HTR1A P08908 3/20 0.51
ADRA2C P18825 2/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
OPRK1 P41145 1/20 0.51
PARP1 P09874 4/20 0.47
TNK1 Q13470 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4A O75164 1/20 0.43
KDM4B O94953 1/20 0.43
KDM5C P41229 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
HTR7 P34969 3/20 0.43
HTR2A P28223 2/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
HRH1 P35367 1/20 0.43

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 0.89 PARP1 (0.51) DRD4DRD3DRD2PARP1TNK1
SCHEMBL14647192 0.83 PARP1 (0.46) DRD4DRD3DRD2PARP1TNK1
SCHEMBL14647179 0.81 ALDH1A1 (0.50) PARP1ALDH1A1POLBKDM4EHPGD
SCHEMBL14647183 0.79 PARP1 (0.46) DRD4DRD3DRD2PARP1TNK1
SCHEMBL14647166 0.78 PARP1 (0.49) DRD4DRD3DRD2HTR1APARP1
SCHEMBL14647226 0.78 TNKS (0.43) HTR1APARP1TSHRKMT2ATNKS
SCHEMBL17400358 0.77 TNKS (0.39) DRD4DRD3DRD2HTR1APARP1
SCHEMBL14647187 0.77 DRD4 (0.43) DRD4DRD3DRD2HTR1APARP1
SCHEMBL14647231 0.77 PARP1 (0.49) DRD4DRD3DRD2HTR1APARP1
SCHEMBL15979574 0.77 PARP1 (0.49) DRD4DRD2HTR1APARP1TNK1

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 DRD4 2594/4885DRD3 2288/4885DRD2 1966/4885

“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.