SCHEMBL13941428

SCHEMBL13941428

C/C(=N\NC(=N)N)c1ccc(NC(=O)Nc2ccc(/C(=N/NC(=N)N)c3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.54
▸ MGLL Q99685 2/20 0.54
▸ PLK4 O00444 1/20 0.54
▸ CHEK1 O14757 1/20 0.54
▸ AURKA O14965 1/20 0.54
▸ CHUK O15111 1/20 0.54
▸ DAPK3 O43293 1/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ ROCK2 O75116 1/20 0.54
▸ PAK4 O96013 1/20 0.54
▸ CHEK2 O96017 1/20 0.54
▸ CDK1 P06493 1/20 0.54
▸ PIM1 P11309 1/20 0.54
▸ PRKACA P17612 1/20 0.54
▸ FGFR3 P22607 1/20 0.54
▸ RPS6KB1 P23443 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ MARK3 P27448 1/20 0.54
▸ AKT1 P31749 1/20 0.54
▸ AKT2 P31751 1/20 0.54

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
SCHEMBL15849842 0.92 MAPT (0.56) FAAHMGLLPLK4CHEK1AURKA
SCHEMBL13431057 0.89 PLK4 (0.57) FAAHMGLLPLK4CHEK1AURKA
SCHEMBL13160507 0.89 PLK4 (0.57) FAAHMGLLPLK4CHEK1AURKA
SCHEMBL13941402 0.89 PLK4 (0.57) FAAHMGLLPLK4CHEK1AURKA
SCHEMBL13941399 0.85 NPC1 (0.54) FAAHMGLLPLK4CHEK1AURKA
SCHEMBL13985288 0.85 PLK4 (0.64) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL13941421 0.84 PLK4 (0.52) FAAHMGLLPLK4CHEK1AURKA
SCHEMBL15849839 0.83 PLK4 (0.68) FAAHMGLLPLK4CHEK1AURKA
SCHEMBL13941596 0.83 PLK4 (0.51) FAAHMGLLPLK4CHEK1AURKA
SCHEMBL13941401 0.83 PLK4 (0.51) FAAHMGLLPLK4CHEK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765802-B2 Kinase inhibitors, compositions thereof, and methods of use therewith PROVID PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-8765802-B2 Kinase inhibitors, compositions thereof, and methods of use therewith PROVID PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. 2009-01-15 — — US disclosed
US-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. 2009-01-15 — — US disclosed
WO-2008156573-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. (US) 2008-12-24 — — WO 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-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH CHEK2, ATM, CHEK1 FAAH 4780/4885MGLL 4429/4885PLK4 231/4885

“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.

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