SCHEMBL10281131

SCHEMBL10281131

Nc1cc(F)c(N2CCN(Cc3cnc4c(c3)NC(=O)C3CCCN43)CC2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PARP1 P09874 6/20 0.46
CRBN Q96SW2 9/20 0.39
IKZF3 Q9UKT9 8/20 0.39
CHEK1 O14757 1/20 0.37
MAP2K1 Q02750 1/20 0.37
DDB1 Q16531 5/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
DRD2 P14416 1/20 0.36
PRCP P42785 1/20 0.35
TNKS O95271 1/20 0.35

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
SCHEMBL10281619 0.89 PARP1 (0.52) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL6128542 0.89 KDM4E (0.48) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL706999 0.89 KDM4E (0.48) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL10281290 0.87 KMT2A (0.51) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL10281200 0.86 KMT2A (0.50) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL10281160 0.86 KMT2A (0.49) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL10281201 0.85 KMT2A (0.48) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL710316 0.84 KMT2A (0.53) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL10281542 0.84 PARP1 (0.52) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL708269 0.84 ALDH1A1 (0.55) KMT2AKDM4EALDH1A1MAPTMEN1

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-8124606-B2 Substituted 7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3′,2′-e]pyrazin-6(6aH)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-28 US disclosed
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 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 (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-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS PARP1, PARP3, PARP2 KMT2A 1299/4885KDM4E 1974/4885ALDH1A1 734/4885

“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.