SCHEMBL708266

SCHEMBL708266

Cc1cnc2c(c1)[nH]c(=O)c1cccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.50
TP53 P04637 1/20 0.47
PDE2A O00408 2/20 0.39
PDE6D O43924 2/20 0.39
PDE8A O60658 2/20 0.39
PDE5A O76074 2/20 0.39
PDE9A O76083 2/20 0.39
PDE8B O95263 2/20 0.39
PDE6A P16499 2/20 0.39
PDE6G P18545 2/20 0.39
PDE4A P27815 2/20 0.39
PDE6B P35913 2/20 0.39
PDE6C P51160 2/20 0.39
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE3B Q13370 2/20 0.39
PDE7A Q13946 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
SCHEMBL709373 0.82 PARP1 (0.47) PARP1TP53PDE2APDE6DPDE8A
SCHEMBL31386834 0.80 PARP1 (0.47) PARP1TP53PDE2APDE6DPDE8A
SCHEMBL713468 0.80 PARP1 (0.47) PARP1TP53PDE2APDE6DPDE8A
SCHEMBL708548 0.78 PARP1 (0.44) PARP1TP53CSNK2A1
SCHEMBL30809703 0.76 PDE2A (0.67) PARP1TP53PDE2APDE6DPDE8A
SCHEMBL8566230 0.76 PDE2A (0.67) PARP1TP53PDE2APDE6DPDE8A
SCHEMBL8564331 0.76 TP53 (0.68) PARP1TP53CDC7PLK4MAPK13
SCHEMBL9415645 0.73 PARP1 (0.65) PARP1TP53CDC7PLK4MAPK13
SCHEMBL8566356 0.70 PARP1 (0.44) PARP1TP53PDE2APDE6DPDE8A
SCHEMBL2272829 0.68 LMNA (0.69) PDE2APDE4BPDE3BPDE3AADORA3

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
WO-2023134647-A1 PIPERAZINO RING-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 优领医药科技(香港)有限公司 2023-07-20 WO 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-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 1/4885TP53 338/4885PDE2A 1904/4885
US-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 PARP1 1/4885TP53 338/4885PDE2A 1904/4885
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS PARP1, PARP3, PARP2 PARP1 1/4885TP53 338/4885PDE2A 1904/4885
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 PARP1 1/4885TP53 338/4885PDE2A 1904/4885
US-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 PARP1 1/4885TP53 338/4885PDE2A 1904/4885

“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.