SCHEMBL10243032

SCHEMBL10243032

OCc1cnc2c(c1)NC[C@@H]1CCCN21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR2A P28223 13/20 0.38
HTR2C P28335 13/20 0.38
HTR2B P41595 13/20 0.38
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
JAK2 O60674 2/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL710138 0.80 KDM4E (0.46) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL1740405 0.74 KDM4E (0.35) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL14979273 0.74 KDM4E (0.48) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL710428 0.74 ALDH1A1 (0.67) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL3783253 0.74 ALDH1A1 (0.67) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL11053842 0.72 MEN1 (0.60) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL708661 0.71 ALDH1A1 (0.62) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL710523 0.71 ALDH1A1 (0.62) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL14979244 0.71 KDM4E (0.44) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6125325 0.71 ALDH1A1 (0.62) MEN1KMT2AGAAMAPTKDM4E

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 MEN1 3211/4885KMT2A 1299/4885GAA 719/4885

“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.