SCHEMBL531573

SCHEMBL531573

CC1Oc2ccc(CN(C)Cc3ccncc3)cc2NC1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.53
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMYD3 Q9H7B4 2/20 0.38
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
ADORA2A P29274 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL531431 0.88 PARP1 (0.68) PARP1PDE3BPDE3AALOX15HSD17B10
SCHEMBL6989624 0.87 PARP1 (0.52) PARP1PDE3BPDE3AALOX15HSD17B10
SCHEMBL532437 0.87 PARP1 (0.54) PARP1PDE3BPDE3AALOX15HSD17B10
SCHEMBL531869 0.87 PARP1 (0.55) PARP1PDE3BPDE3AALOX15HSD17B10
SCHEMBL532908 0.86 PARP1 (0.55) PARP1PDE3BPDE3AALOX15HSD17B10
SCHEMBL532821 0.85 PARP1 (0.52) PARP1PDE3BPDE3AALOX15HSD17B10
SCHEMBL532511 0.85 PARP1 (0.61) PARP1PDE3BPDE3AALOX15HSD17B10
SCHEMBL6989623 0.82 PARP1 (0.78) PARP1PDE3BPDE3AHSD17B10SMYD3
SCHEMBL531695 0.81 PARP1 (0.57) PARP1PDE3BPDE3AALOX15HSD17B10
SCHEMBL532840 0.81 PARP1 (0.56) PARP1PDE3BPDE3AALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PDE3B 1682/4885PDE3A 1463/4885

“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.