SCHEMBL531822

SCHEMBL531822

CC1Oc2ccc(-c3cccc(C(=O)N4CCOCC4)c3)cc2NC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
MEN1 O00255 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
ABL1 P00519 3/20 0.52
ERN1 O75460 3/20 0.50
KDR P35968 2/20 0.47
PLK4 O00444 1/20 0.47
JAK2 O60674 1/20 0.47
MAP4K4 O95819 1/20 0.47
ROS1 P08922 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
MARK3 P27448 1/20 0.47
FLT4 P35916 1/20 0.47
FLT3 P36888 1/20 0.47
CLK2 P49760 1/20 0.47
CSNK1G2 P78368 1/20 0.47
MAP4K2 Q12851 1/20 0.47
ROCK1 Q13464 1/20 0.47

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
SCHEMBL532019 0.92 POLB (0.51) HPGDMEN1RAB9AKMT2AABL1
SCHEMBL532007 0.81 KDR (0.53) MEN1RAB9AKMT2AKDRL3MBTL1
SCHEMBL532744 0.80 KDR (0.52) ABL1ERN1KDRPDE3BPDE3A
SCHEMBL532605 0.80 POLB (0.53) HPGDABL1POLBPDE3BPDE3A
SCHEMBL531713 0.78 KDR (0.58) KDRPDE3BPDE3APARP1BRD4
SCHEMBL532077 0.76 KDR (0.55) KDRROCK1PDE3BPDE3APARP1
SCHEMBL7001705 0.75 PARP1 (0.64) MEN1KMT2AKDRPDE3BPDE3A
SCHEMBL25666545 0.75 ABL1 (0.72) HPGDMEN1RAB9AKMT2AABL1
SCHEMBL531913 0.73 PARP1 (0.59) HPGDRAB9AERN1KDRJAK2
SCHEMBL28860346 0.72 HPGD (1.00) HPGDMEN1RAB9AKMT2AERN1

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 HPGD 247/4885MEN1 3624/4885RAB9A 3651/4885

“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.