SCHEMBL3785223

SCHEMBL3785223

CCOc1ccc(-c2ccccc2N)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
PDK2 Q15119 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NQO1 P15559 1/20 0.45
LTA4H P09960 1/20 0.44
GAA P10253 1/20 0.44
MAPK10 P53779 1/20 0.44
LRRK2 Q5S007 1/20 0.43
NOTUM Q6P988 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL3789175 0.89 MEN1 (0.54) TP53CYP3A4MEN1NPC1KMT2A
SCHEMBL3790223 0.84 LMNA (0.56) TP53CYP3A4MEN1NPC1KMT2A
SCHEMBL396847 0.80 TDP1 (0.53) TP53MEN1NPC1KMT2AALDH1A1
SCHEMBL3785422 0.79 SCN2A (0.54) TP53CYP3A4MEN1NPC1KMT2A
SCHEMBL3785692 0.79 MAOB (0.56) CYP3A4LMNAMAPTPDK2L3MBTL1
SCHEMBL398405 0.79 TP53 (0.56) TP53CYP3A4MEN1NPC1KMT2A
SCHEMBL28483559 0.79 NQO1 (0.54) TP53CYP3A4MEN1NPC1KMT2A
SCHEMBL3785551 0.77 TDP1 (0.60) TP53CYP3A4MEN1NPC1KMT2A
SCHEMBL3783750 0.77 NPC1 (0.53) TP53CYP3A4MEN1NPC1KMT2A
SCHEMBL3789833 0.77 TP53 (0.62) TP53CYP3A4MEN1NPC1KMT2A

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 177/4885MEN1 174/4885

“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.