SCHEMBL569886

SCHEMBL569886

CC(C)(O)Cn1c(Oc2ccc(-c3nn(CC(F)F)c4cccnc34)cc2)nc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE10A Q9Y233 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
TNIK Q9UKE5 1/20 0.33
PIN1 Q13526 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL15085771 0.92 TNIK (0.33) EGFRLMNAPDE10ATLR7TNIK
SCHEMBL570115 0.90 KDM4E (0.38) EGFRKDM4EALDH1A1LMNAGAA
SCHEMBL15065141 0.86 EGFR (0.39) EGFRKDM4EALDH1A1LMNAGAA
SCHEMBL569350 0.81 HDAC1 (0.37) ALDH1A1LMNATSHRPDE10ASMN1; SMN2
SCHEMBL15065321 0.80 MAPK14 (0.41) KDM4EALDH1A1LMNATSHRNPSR1
SCHEMBL570861 0.79 KDM4E (0.36) KDM4ELMNANPSR1PDE10AMAPT
SCHEMBL10285379 0.77 PDE10A (0.32) LMNAPDE10AMAPTTP53
SCHEMBL570442 0.77 PDE10A (0.40) KDM4EALDH1A1LMNAGAATSHR
SCHEMBL12473845 0.76 POLB (0.42) KDM4EALDH1A1PDE10AMEN1HPGD
SCHEMBL15064441 0.76 PDE1A (0.36) EGFRKDM4ELMNAPDE10AMAPT

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 5 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
EP-2601192-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2013-06-12 EP disclosed
WO-2012018909-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-09 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A EGFR 3865/4885KDM4E 1619/4885ALDH1A1 270/4885

“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.