SCHEMBL2747871

SCHEMBL2747871

OCCCn1ccc2ncnc(Cl)c21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41
EGFR P00533 15/20 0.39
ERBB2 P04626 15/20 0.39
ERBB3 P21860 8/20 0.39
ERBB4 Q15303 8/20 0.39
ADORA2A P29274 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
NUDT1 P36639 1/20 0.35
BACE1 P56817 1/20 0.35
KDR P35968 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
SCHEMBL2748776 0.87 FGFR1 (0.40) FGFR1FGFR4EGFRERBB2ERBB3
SCHEMBL27664616 0.83 TLR8 (0.44) FGFR1FGFR4ADORA2A
SCHEMBL3403862 0.82 FGFR1 (0.40) FGFR1FGFR4EGFRERBB2ERBB3
SCHEMBL2749135 0.81 FGFR1 (0.40) FGFR1FGFR4EGFRERBB2ERBB3
SCHEMBL27684259 0.81 FGFR1 (0.42) FGFR1FGFR4EGFRERBB2ERBB3
SCHEMBL2748523 0.81 FGFR1 (0.42) FGFR1FGFR4EGFRERBB2ERBB3
SCHEMBL2749098 0.81 FGFR1 (0.39) FGFR1FGFR4EGFRERBB2ERBB3
SCHEMBL2747195 0.79 FGFR1 (0.43) FGFR1FGFR4EGFRERBB2ERBB3
SCHEMBL19661102 0.78 NUDT1 (0.35) CSNK2A2CSNK2BCSNK2A1CSNK2A3NUDT1
SCHEMBL3506358 0.78 FGFR1 (0.39) FGFR1FGFR4EGFRERBB2ERBB3

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 FGFR1 15/4885FGFR4 138/4885EGFR 68/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 FGFR1 15/4885FGFR4 138/4885EGFR 68/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 FGFR1 15/4885FGFR4 138/4885EGFR 68/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 FGFR1 15/4885FGFR4 138/4885EGFR 68/4885

“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.