SCHEMBL532744

SCHEMBL532744

CC1Oc2ccc(-c3cccc(C(N)=O)c3)cc2NC1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.52
SMYD3 Q9H7B4 3/20 0.51
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
PARP1 P09874 5/20 0.49
ABL1 P00519 2/20 0.46
BRD4 O60885 2/20 0.44
CREBBP Q92793 1/20 0.44
TDP2 O95551 1/20 0.44
ERN1 O75460 1/20 0.40
NSD2 O96028 1/20 0.40
CHEK1 O14757 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
SCHEMBL532007 0.89 KDR (0.53) KDRSMYD3PDE3BPDE3APARP1
SCHEMBL531868 0.89 SMYD3 (0.57) KDRSMYD3PDE3BPDE3APARP1
SCHEMBL19691113 0.87 SMYD3 (0.62) KDRSMYD3PDE3BPDE3APARP1
SCHEMBL531713 0.86 KDR (0.58) KDRSMYD3PDE3BPDE3APARP1
SCHEMBL532077 0.83 KDR (0.55) KDRSMYD3PDE3BPDE3APARP1
SCHEMBL532019 0.82 POLB (0.51) KDRSMYD3PDE3BPDE3APARP1
SCHEMBL7001705 0.82 PARP1 (0.64) KDRSMYD3PDE3BPDE3APARP1
SCHEMBL531822 0.80 HPGD (0.56) KDRSMYD3PDE3BPDE3APARP1
SCHEMBL531913 0.80 PARP1 (0.59) KDRSMYD3PARP1ERN1
SCHEMBL531866 0.79 KDR (0.48) KDRSMYD3PDE3BPDE3APARP1

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 KDR 1627/4885SMYD3 3712/4885PDE3B 1682/4885

“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.