SCHEMBL2748407

SCHEMBL2748407

COc1cc(N)ccc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.60
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
PPP1CA P62136 1/20 0.45
KMT2A Q03164 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.43
NQO2 P16083 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 2/20 0.43
GCGR P47871 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
ADORA2A P29274 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
AR P10275 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
SCHEMBL2748096 0.84 L3MBTL1 (0.55) L3MBTL1MAPTNPSR1RAB9ATSHR
SCHEMBL24497305 0.84 TEAD1 (0.53) L3MBTL1MAPTNPSR1RAB9ATSHR
SCHEMBL19563690 0.83 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1RAB9ATSHR
SCHEMBL2576322 0.82 MAPT (0.52) L3MBTL1MAPTNPSR1RAB9ATSHR
SCHEMBL2747848 0.81 EGFR (0.53) L3MBTL1MAPTNPSR1TSHRMAPK1
SCHEMBL31694813 0.81 L3MBTL1 (0.66) L3MBTL1MAPTNPSR1RAB9ATSHR
SCHEMBL29638122 0.81 EGFR (0.53) L3MBTL1MAPTNPSR1TSHRMAPK1
SCHEMBL24751467 0.81 L3MBTL1 (0.66) L3MBTL1MAPTNPSR1RAB9ATSHR
SCHEMBL875489 0.80 AR (0.53) L3MBTL1MAPTNPSR1PPP1CAKMT2A
SCHEMBL875906 0.80 TTR (0.66) L3MBTL1MAPTNPSR1TSHRPPP1CA

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
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
WO-2010036928-A1 PREVENTION AND TREATMENT OF CANCER WITH LKB1 NON-EXPRESSION (DELETION OR MUTATION) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-01 WO 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 L3MBTL1 2758/4885MAPT 4288/4885NPSR1 296/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 L3MBTL1 2758/4885MAPT 4288/4885NPSR1 296/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 L3MBTL1 2758/4885MAPT 4288/4885NPSR1 296/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 L3MBTL1 2758/4885MAPT 4288/4885NPSR1 296/4885

“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.