SCHEMBL6128550

SCHEMBL6128550

N#Cc1c(F)cc(N2CCN(Cc3cnc4c(c3)NC(=O)C3CCCN43)CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PARP1 P09874 10/20 0.44
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
CRBN Q96SW2 5/20 0.38
IKZF3 Q9UKT9 3/20 0.38
DDB1 Q16531 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
CHRM2 P08172 2/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL706920 1.00 KDM4E (0.48) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL709390 0.91 KDM4E (0.48) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL6128538 0.91 KDM4E (0.48) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL10289204 0.89 KDM4E (0.48) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL709007 0.89 KDM4E (0.48) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL10281290 0.89 KMT2A (0.51) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL710316 0.87 KMT2A (0.53) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL706999 0.86 KDM4E (0.48) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL6128542 0.86 KDM4E (0.48) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL708931 0.86 KDM4E (0.50) KDM4EALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-17 US disclosed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 KDM4E 1974/4885ALDH1A1 734/4885MAPT 1730/4885

“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.