SCHEMBL8738906

SCHEMBL8738906

CNC(=O)c1cc(Cl)c(N2CCN(Cc3cnc4c(c3)[nH]c(=O)n3cccc43)CC2)c(SC)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.47
▸ PARP2 Q9UGN5 8/20 0.47
▸ PARP6 Q2NL67 3/20 0.40
▸ PARP3 Q9Y6F1 3/20 0.40
▸ TIPARP Q7Z3E1 1/20 0.40
▸ TNK1 Q13470 1/20 0.39
▸ KCNH2 Q12809 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
SCHEMBL6114401 0.93 PARP1 (0.51) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL6114136 0.91 PARP1 (0.52) PARP1PARP2PARP6PARP3TNK1
SCHEMBL6114127 0.90 PARP1 (0.51) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL6114554 0.90 PARP1 (0.49) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL6114251 0.90 PARP1 (0.52) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL6114012 0.90 PARP1 (0.48) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL6114459 0.90 PARP1 (0.49) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL6114318 0.88 PARP1 (0.47) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL6114269 0.88 PARP1 (0.47) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL1160701 0.87 PARP1 (0.55) PARP1PARP2PARP6PARP3TNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.

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