SCHEMBL2747576

SCHEMBL2747576

COC(=O)c1cccc(Cn2ccc3ncnc(Cl)c32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.52
FGFR4 P22455 1/20 0.52
YTHDC1 Q96MU7 1/20 0.50
IDO1 P14902 1/20 0.48
MRGPRX4 Q96LA9 4/20 0.45
MAPK10 P53779 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
ABHD6 Q9BV23 1/20 0.44
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
OPRD1 P41143 1/20 0.44
CD74 P04233 1/20 0.43
MIF P14174 1/20 0.43
DRD2 P14416 1/20 0.42
TBXA2R P21731 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL2748458 0.88 FGFR1 (0.53) FGFR1FGFR4YTHDC1LOXL2CNR1
SCHEMBL2747454 0.76 EGFR (0.58)
SCHEMBL31729695 0.72 MRGPRX4 (0.55) YTHDC1IDO1MRGPRX4LOXL2CYP4F2
SCHEMBL13085846 0.71 IDO1 (0.64) FGFR1YTHDC1IDO1MAPK10
SCHEMBL3510171 0.71 YTHDC1 (0.45) YTHDC1IDO1LOXL2ABHD6CYP4F2
SCHEMBL6085688 0.71 HDAC1 (0.54) YTHDC1IDO1MAPK10LOXL2ABHD6
SCHEMBL7830882 0.70 LOXL2 (0.62) IDO1MRGPRX4MAPK10LOXL2ABHD6
SCHEMBL3936623 0.70 LOXL2 (0.51) YTHDC1IDO1MRGPRX4MAPK10LOXL2
SCHEMBL20569138 0.70 IDO1 (0.53) YTHDC1IDO1MAPK10LOXL2ABHD6
SCHEMBL16804361 0.69 YTHDC1 (0.48) YTHDC1LOXL2OPRD1DRD2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 138/4885YTHDC1 3363/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 FGFR1 15/4885FGFR4 138/4885YTHDC1 3363/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 FGFR1 15/4885FGFR4 138/4885YTHDC1 3363/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 FGFR1 15/4885FGFR4 138/4885YTHDC1 3363/4885

“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.