SCHEMBL2748955

SCHEMBL2748955

CC(=O)OCCCCn1ccc2ncnc(Cl)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
FGFR1 P11362 2/20 0.39
FGFR4 P22455 1/20 0.39
HSP90AA1 P07900 3/20 0.39
HSP90AB1 P08238 3/20 0.39
ADORA2B P29275 1/20 0.37
KDR P35968 3/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
PDE2A O00408 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
EGFR P00533 2/20 0.33
ERBB2 P04626 2/20 0.33
ERBB3 P21860 1/20 0.33
ERBB4 Q15303 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALPL P05186 1/20 0.33

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
SCHEMBL2749613 0.99 CNR2 (0.45) CNR2FGFR1FGFR4HSP90AA1HSP90AB1
SCHEMBL3484164 0.80 FGFR1 (0.42) FGFR1FGFR4KDREGFRERBB2
SCHEMBL2748701 0.80 TNF (0.47) EGFR
SCHEMBL27664616 0.79 TLR8 (0.44) FGFR1FGFR4SMN1; SMN2KDM4E
SCHEMBL3506358 0.77 FGFR1 (0.39) FGFR1FGFR4KDREGFRERBB2
SCHEMBL2747871 0.77 FGFR1 (0.41) FGFR1FGFR4KDREGFRERBB2
SCHEMBL4282800 0.76 EGFR (0.38) FGFR1FGFR4KDREGFRERBB2
SCHEMBL2748396 0.75 FGFR1 (0.37) FGFR1FGFR4ADORA2BKDREGFR
SCHEMBL27684257 0.74 FGFR1 (0.37) FGFR1FGFR4KDREGFRERBB2
SCHEMBL27664609 0.73 ALDH1A1 (0.42) FGFR1FGFR4RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1752457-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-03-19 EP disclosed
US-8178543-B2 growth factor receptor tyrosine kinase inhibitor; anticarcinogenic agents; N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-20090203717-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-13 US disclosed
US-7507740-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US disclosed
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-15 US disclosed
US-20070244132-A1 Fused Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 US disclosed
EP-1752457-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-02-14 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 (4 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-20090203717-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 CNR2 455/4885FGFR1 15/4885FGFR4 138/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 CNR2 455/4885FGFR1 15/4885FGFR4 138/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 CNR2 455/4885FGFR1 15/4885FGFR4 138/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 CNR2 455/4885FGFR1 15/4885FGFR4 138/4885

“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.