SCHEMBL14647276

SCHEMBL14647276

O=c1[nH]c2cc(CN3CCN(c4ccc(O)cc4)CC3)cn2c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.54
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
GAA P10253 4/20 0.43
NPC1 O15118 2/20 0.43
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
TSHR P16473 1/20 0.40
HTR2C P28335 1/20 0.40
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
HTR7 P34969 2/20 0.39

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
SCHEMBL14647217 0.91 DRD4 (0.48) DRD4DRD2DRD3GAAHSD17B10
SCHEMBL14647183 0.90 PARP1 (0.46) DRD4DRD2DRD3GAAMAPT
SCHEMBL14647224 0.90 DRD4 (0.52) DRD4DRD2DRD3GAAKDM4E
SCHEMBL14647158 0.90 MAPT (0.48) DRD4GAAHSD17B10KDM4EMAPT
SCHEMBL14647115 0.88 PARP1 (0.43) DRD4GAAHSD17B10POLBTSHR
SCHEMBL14647188 0.87 HSD17B10 (0.56) DRD4DRD2DRD3GAAHSD17B10
SCHEMBL14647230 0.87 KCNH2 (0.48) DRD4DRD3TSHRHTR7PARP1
SCHEMBL15703264 0.84 HSD17B10 (0.45) DRD4DRD3GAAHSD17B10MAPT
SCHEMBL14647223 0.84 SIGMAR1 (0.45) GAAHSD17B10KDM4EALDH1A1TSHR
SCHEMBL14647187 0.84 DRD4 (0.43) DRD4DRD2DRD3HSD17B10ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103703002-B There is PARP and suppress active new compound SANTEN PHARMACEUTICAL CO.,LTD. (JP) 2016-05-11 CN claimed
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-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 DRD4 2594/4885DRD2 1966/4885DRD3 2288/4885

“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.