SCHEMBL3786504

SCHEMBL3786504

COc1cccc(-c2ccc(N)cc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.45
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 4/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAP2K2 P36507 2/20 0.43
CHEK1 O14757 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
ABL1 P00519 1/20 0.43
NTRK1 P04629 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
PIM1 P11309 1/20 0.43
FLT3 P36888 1/20 0.43
MAPK8 P45983 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL27938882 0.87 ABL1 (0.50) ALDH1A1MAPK1MAPTABL1CYP3A4
SCHEMBL3252192 0.86 ALDH1A1 (0.48) NCOA1NCOA3ALDH1A1MAPK1MAPT
SCHEMBL29634473 0.86 ALDH1A1 (0.48) NCOA1NCOA3ALDH1A1MAPK1MAPT
SCHEMBL46544 0.84 NCOA1 (0.56) FYNNCOA1NCOA3ALDH1A1MAPK1
SCHEMBL2212731 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1MAPTMAP2K2JAK2
SCHEMBL31607623 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1MAPTMAP2K2JAK2
SCHEMBL28222892 0.83 CYP19A1 (0.53) FYNNCOA1NCOA3ALDH1A1MAPK1
SCHEMBL2380627 0.83 CHEK1 (0.49) FYNNCOA1NCOA3ALDH1A1MAPK1
SCHEMBL3790127 0.81 FYN (0.50) FYNALDH1A1MAPK1MAPTMAP2K2
Nitrogen SCHEMBL7510963 0.81 NCOA1 (0.53) FYNNCOA1NCOA3ALDH1A1MAPK1

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 FYN 390/4885NCOA1 2120/4885NCOA3 989/4885

“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.