SCHEMBL6696776

SCHEMBL6696776

N#Cc1cccc2c1[nH]c1c3[nH]c4c(C#N)cccc4c3c3c4cccc(C#N)c4[nH]c3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.41
CLK1 P49759 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
IMPDH2 P12268 2/20 0.36
IMPDH1 P20839 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GSK3B P49841 2/20 0.35
NFATC1 O95644 1/20 0.35
MAP2K1 Q02750 1/20 0.35
PNMT P11086 1/20 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
SCHEMBL29732438 0.86 DYRK1A (0.47) DYRK1ACLK1CA1CA2IMPDH2
SCHEMBL20115833 0.86 DYRK1A (0.47) DYRK1ACLK1CA1CA2IMPDH2
SCHEMBL20865130 0.80 PRKCA (0.60) CDK5CDK5R1MAPTGSK3BEGFR
SCHEMBL20115856 0.79 DYRK1A (0.49) DYRK1ACLK1CA1CA2CLK2
SCHEMBL31628356 0.76 FEN1 (0.40) DYRK1ACLK1CA1CA2IMPDH2
SCHEMBL9714208 0.73 DYRK1A (0.54) DYRK1ACLK1CA1CA2CLK2
SCHEMBL30355317 0.73 DYRK1A (0.54) DYRK1ACLK1CA1CA2CLK2
SCHEMBL28848130 0.72 AHR (0.58) DYRK1ACLK1CA1CA2IMPDH2
SCHEMBL11738020 0.69 DYRK1A (0.44) DYRK1ACA1CA2MAPTPNMT
SCHEMBL25244651 0.69 DYRK1A (0.44) DYRK1ACLK1CA1CA2IMPDH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2004-01-29 US 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-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT DYRK1A 933/4885CLK1 1965/4885CA1 2624/4885

“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.