SCHEMBL3780919

SCHEMBL3780919

CN(C)c1c(N)cccc1B(O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
TSHR P16473 3/20 0.36
PIK3CA P42336 1/20 0.36
ALDH1A1 P00352 3/20 0.33
ENPP2 Q13822 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CD44 P16070 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHEK1 O14757 1/20 0.31
NEK2 P51955 1/20 0.31
LIMK1 P53667 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
ALOX15 P16050 2/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8999976 0.79 CYP3A4 (0.48) CYP3A4TSHRPIK3CAALDH1A1KDM4E
SCHEMBL31484175 0.77 ALDH1A1 (0.37) CYP3A4TSHRALDH1A1ENPP2KDM4E
SCHEMBL28688124 0.73 CD44 (0.48) CYP3A4TSHRPIK3CAALDH1A1ENPP2
SCHEMBL29780861 0.72 CYP3A4 (0.47) CYP3A4TSHRPIK3CAALDH1A1ENPP2
SCHEMBL56105 0.72 CYP3A4 (0.47) CYP3A4TSHRPIK3CAALDH1A1ENPP2
SCHEMBL3790368 0.71 MMP2 (0.43) CYP3A4TSHRPIK3CAALDH1A1ENPP2
SCHEMBL18509851 0.71 CD44 (0.52) CYP3A4TSHRPIK3CAALDH1A1KDM4E
SCHEMBL3192230 0.71 CYP3A4 (0.59) CYP3A4TSHRPIK3CAALDH1A1ENPP2
SCHEMBL3794447 0.71 GAA (0.40) TSHRALDH1A1ENPP2KDM4ETDP1
SCHEMBL29547388 0.71 MEN1 (0.41) ALDH1A1ENPP2KDM4EHPGDHSD17B10

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 CYP3A4 177/4885TSHR 1688/4885PIK3CA 2327/4885

“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.