SCHEMBL3787533

SCHEMBL3787533

CCOc1cccc(-c2cccc(N)c2)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAP4K4 O95819 2/20 0.46
ALDH1A1 P00352 3/20 0.44
PTPRC P08575 1/20 0.43
DHFR P00374 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 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
SCHEMBL3793105 0.89 PTPRC (0.55) TP53CYP3A4MAP4K4ALDH1A1PTPRC
SCHEMBL3784036 0.85 ALDH1A1 (0.53) TP53ALDH1A1PTPRCDHFRKDM4E
SCHEMBL3790953 0.83 ALDH1A1 (0.47) TP53CYP3A4ALDH1A1PTPRCDHFR
SCHEMBL3789274 0.82 KDM4E (0.51) TP53CYP3A4MAP4K4ALDH1A1PTPRC
SCHEMBL3790341 0.82 MAPT (0.51) TP53CYP3A4MAP4K4ALDH1A1PTPRC
SCHEMBL3790127 0.81 FYN (0.50) TP53CYP3A4MAP4K4ALDH1A1MAPT
SCHEMBL3783759 0.80 MAOB (0.54) MAP4K4MAPTL3MBTL1MAPK1MAOA
Boric Acid SCHEMBL27774945 0.79 ALDH1A1 (0.47) TP53ALDH1A1PTPRCDHFRKDM4E
SCHEMBL3784760 0.77 TP53 (0.50) TP53CYP3A4MAP4K4ALDH1A1KDM4E
SCHEMBL3784523 0.77 ALDH1A1 (0.53) TP53CYP3A4MAP4K4ALDH1A1KDM4E

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 TP53 2819/4885CYP3A4 177/4885MAP4K4 3704/4885

“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.