SCHEMBL3789557

SCHEMBL3789557

CSc1ccc(N)c(-c2ccc(N)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
HTR7 P34969 1/20 0.38
CYP3A4 P08684 4/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 5/20 0.37
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 1/20 0.33

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
SCHEMBL6572501 0.89 APP (0.37) APPCYP3A4TSHRTDP1ALDH1A1
SCHEMBL3790109 0.85 APP (0.41) APPHTR7CYP3A4TSHRMAPK1
SCHEMBL3791154 0.85 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTNPC1
Hydrochloric Acid SCHEMBL9311238 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL3787056 0.80 MAOA (0.42) CYP3A4TSHRMEN1MAPT
SCHEMBL3785538 0.80 GCK (0.38) CYP3A4TSHRMAPK1TDP1ALDH1A1
SCHEMBL6011368 0.77 CASP1 (0.39) APPALDH1A1MEN1KMT2AMAPT
SCHEMBL3790289 0.77 ALDH1A1 (0.58) APPCYP3A4TSHRMAPK1TDP1
SCHEMBL30075769 0.77 TDP1 (0.50) APPCYP3A4TSHRMAPK1TDP1
SCHEMBL2479814 0.77 TDP1 (0.50) APPCYP3A4TSHRMAPK1TDP1

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 APP 2554/4885HTR7 1295/4885CYP3A4 177/4885

“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.