SCHEMBL709836

SCHEMBL709836

O=C1CN(Cc2ccccc2)c2ncc(CN3CCC(c4ccc(Cl)cc4)CC3)cc2N1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PARP1 P09874 5/20 0.48
CHRM4 P08173 1/20 0.44
DRD2 P14416 6/20 0.43
DRD4 P21917 6/20 0.43
DRD3 P35462 4/20 0.43
GHSR Q92847 2/20 0.42
EPHX2 P34913 1/20 0.42
NR3C1 P04150 1/20 0.41
HTR2C P28335 1/20 0.41
MCHR1 Q99705 1/20 0.41
USP30 Q70CQ3 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
SCHEMBL709534 0.87 DRD2 (0.47) MEN1KMT2APARP1DRD2DRD4
SCHEMBL709701 0.85 DRD4 (0.54) PARP1DRD2DRD4DRD3EPHX2
SCHEMBL709662 0.84 DRD2 (0.45) MEN1KMT2APARP1DRD2DRD4
SCHEMBL708742 0.80 PARP1 (0.54) PARP1DRD2DRD4DRD3
SCHEMBL707417 0.77 PARP1 (0.48) MEN1KMT2APARP1DRD2DRD4
SCHEMBL707418 0.77 PARP1 (0.48) MEN1KMT2APARP1DRD2DRD4
SCHEMBL6128534 0.77 MEN1 (0.61) MEN1KMT2APARP1DRD2DRD4
SCHEMBL708608 0.77 MEN1 (0.61) MEN1KMT2APARP1DRD2DRD4
SCHEMBL708990 0.77 MEN1 (0.61) MEN1KMT2APARP1DRD2DRD4
SCHEMBL709754 0.77 EPHX2 (0.53) MEN1KMT2AGHSREPHX2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-29 US claimed
US-8822470-B2 Substituted pyrido[2,3-b]pyrazines TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US claimed
US-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-10-17 US claimed
US-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-17 US claimed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US claimed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-29 US disclosed
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-29 US disclosed
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-29 US disclosed
US-8822470-B2 Substituted pyrido[2,3-b]pyrazines TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-7928105-B2 Substituted 6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-19 US disclosed
US-7928105-B2 Substituted 6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-19 US disclosed
US-7928105-B2 Substituted 6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-19 US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 WO disclosed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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 (4 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-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 MEN1 3211/4885KMT2A 1299/4885PARP1 1/4885
US-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 MEN1 3211/4885KMT2A 1299/4885PARP1 1/4885
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 MEN1 3211/4885KMT2A 1299/4885PARP1 1/4885
US-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 MEN1 3211/4885KMT2A 1299/4885PARP1 1/4885

“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.