SCHEMBL2748458

SCHEMBL2748458

COC(=O)c1ccc(Cn2ccc3ncnc(Cl)c32)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.53
FGFR4 P22455 1/20 0.53
YTHDC1 Q96MU7 1/20 0.46
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
CYP11B2 P19099 1/20 0.43
LMNA P02545 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CNR1 P21554 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
FAAH O00519 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 2/20 0.41
TBXA2R P21731 2/20 0.41
BRD4 O60885 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
SCHEMBL2747576 0.88 FGFR1 (0.52) FGFR1FGFR4YTHDC1CNR1LOXL2
SCHEMBL16804361 0.81 YTHDC1 (0.48) YTHDC1GAARAB9ACYP11B2LMNA
SCHEMBL18108871 0.74 DRD2 (0.49) YTHDC1GAARAB9AHDAC6DRD2
SCHEMBL18108931 0.73 YTHDC1 (0.46) YTHDC1GAARAB9ACYP11B2LMNA
SCHEMBL16804412 0.72 HDAC6 (0.51) YTHDC1GAARAB9ALMNAHDAC6
SCHEMBL18108883 0.72 YTHDC1 (0.45) YTHDC1GAARAB9ACYP11B2LMNA
SCHEMBL18109027 0.71 BRD4 (0.48) YTHDC1GAARAB9ACYP11B2LMNA
SCHEMBL29754324 0.71 LMNA (0.54) YTHDC1GAARAB9ACYP11B2LMNA
SCHEMBL4289543 0.71 FGFR1 (0.45) FGFR1FGFR4HDAC6
SCHEMBL16804387 0.70 YTHDC1 (0.50) YTHDC1GAARAB9ACYP11B2HDAC6

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 9 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
CN-1993362-B Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL 2010-12-15 CN 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
CN-1993362-A Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL (JP) 2007-07-04 CN 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.