Sugi Predict

Sugi Predict / Compounds / SCHEMBL707418

SCHEMBL707418

SCHEMBL707418

CC1C(=O)Nc2cc(CN3CCC(c4ccc(Cl)cc4)CC3)cnc2N1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 6/20 0.48
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ DRD2 P14416 6/20 0.43
▸ HTR2C P28335 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ DRD4 P21917 5/20 0.41
▸ IKZF2 Q9UKS7 3/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ KDM4B O94953 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ KDM2A Q9Y2K7 1/20 0.41
▸ DRD3 P35462 2/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTR6 P50406 1/20 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
SCHEMBL707417 1.00 PARP1 (0.48) PARP1MEN1KMT2ADRD2HTR2C
SCHEMBL710779 0.90 PARP1 (0.59) PARP1MEN1KMT2ADRD2MCHR1
SCHEMBL710778 0.90 PARP1 (0.59) PARP1MEN1KMT2ADRD2MCHR1
SCHEMBL709445 0.88 PARP1 (0.46) PARP1MEN1KMT2ADRD2HTR2C
SCHEMBL709446 0.88 PARP1 (0.46) PARP1MEN1KMT2ADRD2HTR2C
SCHEMBL708492 0.85 DRD4 (0.48) PARP1DRD2HTR2CDRD4DRD3
SCHEMBL708493 0.85 DRD4 (0.48) PARP1DRD2HTR2CDRD4DRD3
SCHEMBL709534 0.84 DRD2 (0.47) PARP1MEN1KMT2ADRD2HTR2C
SCHEMBL708608 0.82 MEN1 (0.61) PARP1MEN1KMT2ADRD2HTR2C
SCHEMBL6128534 0.82 MEN1 (0.61) PARP1MEN1KMT2ADRD2HTR2C

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 19 patents. 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
EP-2389379-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-11-30 — — EP claimed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 — — US claimed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 — — WO 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-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-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-10-17 — — US disclosed
US-8450323-B2 Substituted derivatives of pyrido[3,2-e][1,4]thiazino[4,3-a]pyrazine and pyrido[3,2-e][1,4]oxazino[4,3-a]pyrazine TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-28 — — US disclosed
US-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-17 — — US disclosed
US-8124606-B2 Substituted 7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3′,2′-e]pyrazin-6(6aH)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-28 — — US disclosed
EP-2389379-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-11-30 — — EP disclosed
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 — — 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
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 (5 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 PARP1 1/4885MEN1 3211/4885KMT2A 1299/4885
US-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 PARP1 1/4885MEN1 3211/4885KMT2A 1299/4885
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS PARP1, PARP3, PARP2 PARP1 1/4885MEN1 3211/4885KMT2A 1299/4885
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 PARP1 1/4885MEN1 3211/4885KMT2A 1299/4885
US-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 PARP1 1/4885MEN1 3211/4885KMT2A 1299/4885

“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.