SCHEMBL14647239

SCHEMBL14647239

O=c1[nH]c2cc(CN3CCN(c4ccccc4F)CC3)cn2c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 6/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
DRD4 P21917 4/20 0.45
DRD3 P35462 3/20 0.45
DRD2 P14416 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DAO P14920 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 2/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
GRM2 Q14416 1/20 0.42
ADRA1D P25100 1/20 0.41

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
SCHEMBL14647166 0.91 PARP1 (0.49) DRD4DRD3DRD2HTR1AHTR7
SCHEMBL15979572 0.88 DRD2 (0.47) KDM4EALDH1A1DRD4DRD2GAA
SCHEMBL14647183 0.85 PARP1 (0.46) POLBTSHRDRD4DRD3DRD2
SCHEMBL15979574 0.85 PARP1 (0.49) DRD4DRD2HTR1A
SCHEMBL14647125 0.85 HTR7 (0.52) KDM4EHSD17B10ALDH1A1DRD4DRD3
SCHEMBL14647217 0.85 DRD4 (0.48) HSD17B10TSHRDRD4DRD3DRD2
SCHEMBL14647226 0.85 TNKS (0.43) TSHRMEN1KMT2AHTR1A
SCHEMBL14647223 0.84 SIGMAR1 (0.45) KDM4EHSD17B10ALDH1A1TSHRGAA
SCHEMBL14647187 0.84 DRD4 (0.43) HSD17B10ALDH1A1TSHRDRD4DRD3
SCHEMBL14647170 0.83 DRD2 (0.59) DRD4DRD3DRD2GAAMEN1

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 KDM4E 1206/4885HSD17B10 3838/4885ALDH1A1 532/4885

“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.