SCHEMBL569586

SCHEMBL569586

CCOC(=O)Cn1c(Oc2ccc(-c3nn(CC)c4cccnc34)cc2)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
HPGD P15428 3/20 0.50
HTT P42858 3/20 0.50
TSHR P16473 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALOX15 P16050 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
AR P10275 3/20 0.43
CTNNB1 P35222 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL12473845 0.90 POLB (0.42) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL570442 0.85 PDE10A (0.40) KDM4EALDH1A1HSD17B10TSHRMAPT
SCHEMBL570115 0.83 KDM4E (0.38) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL15064484 0.81 PDE10A (0.43) KDM4EALDH1A1HPGDHTTTSHR
SCHEMBL15064353 0.80 KDM4E (0.37) KDM4EALDH1A1HSD17B10HTTTSHR
SCHEMBL10285695 0.77 MEN1 (0.40) KDM4ETSHRMAPTMEN1KMT2A
SCHEMBL570302 0.77 ALDH1A1 (0.40) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL570861 0.76 KDM4E (0.36) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL12045528 0.76 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL570749 0.74 MEN1 (0.36) KDM4EHSD17B10TSHRMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A KDM4E 1619/4885ALDH1A1 270/4885HSD17B10 140/4885

“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.