SCHEMBL3784686

SCHEMBL3784686

Nc1ccc(-c2cc(N)ccc2C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.58
GAA P10253 2/20 0.57
TSHR P16473 2/20 0.57
GLA P06280 1/20 0.57
POLB P06746 1/20 0.57
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AR P10275 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
SRC P12931 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 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
SCHEMBL3789296 0.88 TSHR (0.53) KIF11GAATSHRGLAPOLB
SCHEMBL8099824 0.87 GAA (0.61) KIF11GAATSHRGLAPOLB
SCHEMBL2808894 0.87 TSHR (0.67) KIF11GAATSHRGLAPOLB
SCHEMBL1827783 0.86 KIF11 (0.59) KIF11GAATSHRGLAPOLB
SCHEMBL16363206 0.85 KIF11 (0.51) KIF11GAATSHRGLAPOLB
SCHEMBL1011735 0.83 GAA (0.76) KIF11GAATSHRGLAPOLB
SCHEMBL7875143 0.83 KIF11 (0.50) KIF11GAATSHRGLAPOLB
SCHEMBL672246 0.82 TSHR (0.52) KIF11GAATSHRGLAPOLB
SCHEMBL28381351 0.82 TSHR (0.56) KIF11GAATSHRGLAPOLB
Water SCHEMBL29003781 0.82 GAA (0.73) KIF11GAATSHRGLAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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 (1 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 KIF11 3999/4885GAA 1755/4885TSHR 1688/4885

“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.