SCHEMBL2111879

SCHEMBL2111879

CC(C)(C)OC(=O)N1CCOc2nc(N3CCOCC3)c(F)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.45
PIK3CA P42336 4/20 0.45
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAF1 P04049 2/20 0.41
BRAF P15056 2/20 0.41
USP30 Q70CQ3 1/20 0.41
MAPT P10636 1/20 0.40
ESR2 Q92731 1/20 0.39
RECQL P46063 1/20 0.39
PIK3R1 P27986 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1H2 P55055 1/20 0.39
PIK3CD O00329 1/20 0.38

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
SCHEMBL2110588 0.88 MTOR (0.45) MTORPIK3CAUSP2SMN1; SMN2RAF1
SCHEMBL2110372 0.78 ACHE (0.45)
SCHEMBL2109273 0.78 KIT (0.39) MTORPIK3CAUSP2SMN1; SMN2MAPT
SCHEMBL3870832 0.77 USP30 (0.52) MTORPIK3CAUSP2SMN1; SMN2USP30
SCHEMBL30098007 0.75 ESR2 (0.50) MTORPIK3CAUSP2SMN1; SMN2MAPT
SCHEMBL2891547 0.75 ESR2 (0.50) MTORPIK3CAUSP2SMN1; SMN2MAPT
SCHEMBL20731149 0.75 KIT (0.41)
SCHEMBL28562423 0.75 KIT (0.41)
SCHEMBL30968550 0.75 KIT (0.41)
SCHEMBL3276974 0.72 ABHD6 (0.50) MTORPIK3CAUSP2SMN1; SMN2USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
EP-2018863-B9 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2015-02-18 EP disclosed
EP-2018863-B1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2742936-A1 Fused heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
EP-2727585-A1 In-vivo screening method Takeda Pharmaceutical Company Limited (JP) 2014-05-07 EP disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
EP-2018863-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-01-28 EP 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 (3 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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B MTOR 992/4885PIK3CA 1315/4885USP2 3142/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B MTOR 992/4885PIK3CA 1315/4885USP2 3142/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B MTOR 992/4885PIK3CA 1315/4885USP2 3142/4885

“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.