SCHEMBL984918

SCHEMBL984918

FC(F)(F)c1cccc(Oc2cc[c]cc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK39 Q9UEW8 1/20 0.44
EGFR P00533 3/20 0.43
ERBB2 P04626 3/20 0.43
ERBB3 P21860 3/20 0.43
ERBB4 Q15303 3/20 0.43
TEAD1 P28347 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 2/20 0.41
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
KCNH2 Q12809 2/20 0.40
AR P10275 1/20 0.39
PPARG P37231 3/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5583617 0.83 TEAD1 (0.46) TEAD1L3MBTL1MAPTNPSR1POLB
SCHEMBL985888 0.83 EGFR (0.44) EGFRERBB2ERBB3ERBB4AR
SCHEMBL21630261 0.82 FFAR1 (0.42) L3MBTL1MAPTHTR2ASLC6A4KCNH2
SCHEMBL2333939 0.81 EGFR (0.39) EGFRERBB2ERBB3ERBB4MAPT
SCHEMBL984802 0.80 SLC6A4 (0.47) EGFRERBB2ERBB3ERBB4L3MBTL1
SCHEMBL4697065 0.80 AR (0.54) STK39EGFRERBB2ERBB3ERBB4
SCHEMBL10606643 0.78 AR (0.46) HTR2ASLC6A4KCNH2AR
SCHEMBL919095 0.77 TEAD1 (0.46) TEAD1L3MBTL1MAPTNPSR1POLB
SCHEMBL10993237 0.77 FFAR1 (0.47) STK39EGFRERBB2ERBB3ERBB4
SCHEMBL694092 0.77 LTA4H (0.49) TEAD1L3MBTL1MAPTNPSR1POLB

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-2359825-A2 Combination drug Takeda Pharmaceutical Company Limited (JP) 2011-08-24 EP disclosed
US-20110003805-A1 CONCOMITANT DRUG TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
EP-2255830-A1 CONCOMITANT DRUG Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP disclosed
US-7825127-B2 Method for treating cancer TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2010-11-02 US disclosed
US-20100008912-A1 COMBINATION DRUG TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-14 US disclosed
EP-2063895-A2 COMBINATION DRUG Takeda Pharmaceutical Company Limited (JP) 2009-06-03 EP disclosed
US-20080214584-A1 Method for treating cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-04 US disclosed
WO-2008044782-A2 COMBINATION DRUG TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-04-17 WO 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 (3 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-20100008912-A1 COMBINATION DRUG ERBB2, ERBB3, ERBB4 STK39 1124/4885EGFR 5/4885ERBB2 1/4885
US-20080214584-A1 Method for treating cancer ERBB2, EGFR, ERBB3 STK39 2981/4885EGFR 2/4885ERBB2 1/4885
US-20110003805-A1 CONCOMITANT DRUG ERBB2, MTOR, ERBB4 STK39 1968/4885EGFR 6/4885ERBB2 1/4885

“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.