SCHEMBL3787569

SCHEMBL3787569

CN(C)c1ccccc1-c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 4/20 0.47
MAPK14 Q16539 4/20 0.47
CSNK1D P48730 3/20 0.47
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NOTUM Q6P988 1/20 0.44
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
IMPDH2 P12268 1/20 0.43
CHRM5 P08912 1/20 0.43
CHKA P35790 1/20 0.43
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
NSD2 O96028 1/20 0.40
EGFR P00533 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL19698852 0.84 MAPT (0.47) MAPTSMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL29831689 0.83 NOTUM (0.48) MAPK11MAPK14CSNK1DMAPTSMN1; SMN2
SCHEMBL28489833 0.83 NOTUM (0.48) MAPK11MAPK14CSNK1DMAPTSMN1; SMN2
SCHEMBL29433183 0.82 ALDH1A1 (0.45) MAPTSMN1; SMN2MAPK1HSD17B10ALDH1A1
SCHEMBL1254512 0.82 ALDH1A1 (0.45) MAPTSMN1; SMN2MAPK1HSD17B10ALDH1A1
SCHEMBL30763243 0.80 ALDH1A1 (0.44) MAPTSMN1; SMN2MAPK1HSD17B10ALDH1A1
SCHEMBL27516508 0.80 ALDH1A1 (0.44) MAPTSMN1; SMN2MAPK1HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL2866856 0.80 ALDH1A1 (0.44) MAPTSMN1; SMN2MAPK1HSD17B10ALDH1A1
SCHEMBL27517786 0.80 ALDH1A1 (0.44) MAPTSMN1; SMN2MAPK1HSD17B10ALDH1A1
SCHEMBL30165671 0.79 CYP2A6 (0.50) MAPTSMN1; SMN2HSD17B10ADRA2AADRA2B

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 MAPK11 3737/4885MAPK14 4123/4885CSNK1D 4867/4885

“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.