SCHEMBL3786331

SCHEMBL3786331

NCc1cc(-c2ccc(N)cc2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.48
TDP1 Q9NUW8 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 1/20 0.48
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 3/20 0.41
TAAR1 Q96RJ0 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
PLAU P00749 1/20 0.39
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
KIF11 P52732 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MAPK1 P28482 2/20 0.37
PRKCZ Q05513 1/20 0.36
CYP17A1 P05093 2/20 0.35
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35

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
SCHEMBL3804563 0.85 TAAR1 (0.50) CYP3A4TDP1ALDH1A1MEN1KMT2A
SCHEMBL28266587 0.83 ALDH1A1 (0.45) TDP1ALDH1A1MEN1KMT2ATAAR1
SCHEMBL3785687 0.83 TDP1 (0.48) CYP3A4TDP1ALDH1A1TP53MEN1
SCHEMBL3782759 0.82 MAOA (0.52) CYP3A4TDP1ALDH1A1MEN1KMT2A
SCHEMBL143013 0.81 LOXL2 (0.42) CYP3A4TDP1ALDH1A1TP53MEN1
SCHEMBL3786933 0.81 CYP3A4 (0.46) CYP3A4TDP1ALDH1A1TP53MEN1
SCHEMBL28191524 0.81 TDP1 (0.46) CYP3A4TDP1ALDH1A1TP53MEN1
SCHEMBL2574764 0.81 ALDH1A1 (0.46) CYP3A4TDP1ALDH1A1TP53MEN1
Hydrochloric Acid SCHEMBL6741153 0.79 MAPT (0.40) CYP3A4TDP1ALDH1A1TP53MEN1
Hydrochloric Acid SCHEMBL6677006 0.79 MAPT (0.40) CYP3A4TDP1ALDH1A1TP53MEN1

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 177/4885TDP1 4196/4885ALDH1A1 4339/4885

“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.