SCHEMBL3786897

SCHEMBL3786897

CN(C)c1cccc(N)c1-c1cccc(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAP4K4 O95819 6/20 0.42
ADK P55263 1/20 0.40
CHEK1 O14757 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
RECQL P46063 2/20 0.38
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38
MEN1 O00255 2/20 0.37
PSIP1 O75475 1/20 0.37
AXL P30530 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL3781821 0.83 CHEK1 (0.47) MAOACHEK1NEK2LIMK1DYRK1A
SCHEMBL3783752 0.81 CHEK1 (0.41) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3787108 0.77 MAP4K4 (0.51) MAOAMAP4K4RECQLCYP3A4CASP1
SCHEMBL3794551 0.76 MAOA (0.50) MAOAMAP4K4CHEK1NEK2LIMK1
SCHEMBL3786855 0.76 MAOA (0.50) MAOAMAP4K4CHEK1NEK2LIMK1
SCHEMBL3791883 0.76 MAOA (0.50) MAOAMAP4K4CHEK1NEK2LIMK1
SCHEMBL3791074 0.75 MAP4K4 (0.46) MAOAMAP4K4RECQLCYP3A4CASP1
SCHEMBL3784696 0.75 MAP4K4 (0.46) MAOAMAP4K4RECQLCYP3A4CASP1
SCHEMBL20421691 0.73 CD44 (0.46) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL28403007 0.73 MAP4K4 (0.52) MAOAMAP4K4RECQLCYP3A4CASP1

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 MAOA 348/4885MAP4K4 3704/4885ADK 2691/4885

“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.