SCHEMBL3789262

SCHEMBL3789262

COc1ccc(N)cc1-c1cccc(N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.51
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
KIT P10721 2/20 0.47
NTRK1 P04629 1/20 0.47
MAPT P10636 4/20 0.46
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
MAOA P21397 1/20 0.45
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 0.45
TUBB4B P68371 2/20 0.45
TUBB3 Q13509 2/20 0.45
TUBB2A Q13885 2/20 0.45
TUBB8 Q3ZCM7 2/20 0.45
TUBA3E Q6PEY2 2/20 0.45

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
SCHEMBL977870 0.88 HDAC4 (0.60) FYNALDH1A1CYP3A4KITMAPT
SCHEMBL6259929 0.88 CYP3A4 (0.56) FYNALDH1A1CYP3A4KITMAPT
SCHEMBL14003309 0.88 ALDH1A1 (0.50) FYNALDH1A1CYP3A4KITNTRK1
SCHEMBL654302 0.87 PTGDR2 (0.57) ALDH1A1NTRK1MAPTMAOAKDM4E
SCHEMBL3841461 0.86 PDE4D (0.52) FYNALDH1A1MAPTKDM4ETSHR
Hydrochloric Acid SCHEMBL654301 0.85 PTGDR2 (0.55) ALDH1A1NTRK1MAPTMAOAKDM4E
SCHEMBL1039794 0.85 HTR7 (0.55) FYNALDH1A1CYP3A4MAPTMAOA
SCHEMBL3792045 0.85 CYP3A4 (0.58) FYNALDH1A1CYP3A4KITNTRK1
SCHEMBL7758589 0.85 MAOA (0.48) FYNALDH1A1CYP3A4MAPTMAOA
SCHEMBL23969904 0.84 MAPT (0.46) FYNALDH1A1KITNTRK1MAPT

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 390/4885ALDH1A1 4339/4885CYP3A4 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.