SCHEMBL1160554

SCHEMBL1160554

CCc1cc(C(=O)NC)ccc1N1CCN(Cc2cnc3c(c2)[nH]c(=O)n2cc(C)cc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.53
PARP2 Q9UGN5 10/20 0.52
PARP6 Q2NL67 6/20 0.52
PARP3 Q9Y6F1 6/20 0.52
KCNH2 Q12809 1/20 0.47
TIPARP Q7Z3E1 1/20 0.46

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
SCHEMBL1160664 0.92 PARP1 (0.56) PARP1PARP2PARP6PARP3
SCHEMBL1160533 0.91 PARP1 (0.54) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL1160802 0.91 PARP1 (0.53) PARP1PARP2PARP6PARP3
SCHEMBL1160656 0.91 PARP1 (0.53) PARP1PARP2PARP6PARP3
SCHEMBL1160510 0.91 PARP1 (0.53) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL1160599 0.89 PARP1 (0.52) PARP1PARP2PARP6PARP3
SCHEMBL1160650 0.89 PARP1 (0.52) PARP1PARP2PARP6PARP3
SCHEMBL1160776 0.89 PARP1 (0.52) PARP1PARP2PARP6PARP3
SCHEMBL1160731 0.89 PARP1 (0.56) PARP1PARP2PARP6PARP3KCNH2
SCHEMBL1160803 0.88 PARP1 (0.58) PARP1PARP2PARP6PARP3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541417-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-09-24 US claimed
EP-2459561-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-06-06 EP claimed
US-20120129868-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-24 US claimed
WO-2011014681-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 WO claimed
US-8980902-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-8980902-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-20140024654-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
US-20140024654-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
US-8541417-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-09-24 US disclosed
US-8541417-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-09-24 US disclosed
US-20120129868-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-24 US disclosed
US-20120129868-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-24 US 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 (2 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-20120129868-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PARP2 2/4885PARP6 4/4885
US-20140024654-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PARP2 2/4885PARP6 4/4885

“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.