SCHEMBL4408036

SCHEMBL4408036

CCc1c(-c2nnc[nH]2)ccnc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
CSNK1A1 P48729 1/20 0.31
TYRO3 Q06418 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
NUDT1 P36639 1/20 0.31
BRAF P15056 1/20 0.31
XDH P47989 3/20 0.30
USP7 Q93009 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL4408031 0.80 CCNC (0.32) CCNCCDK8BRAFXDH
SCHEMBL986290 0.75 DYRK1B (0.39) CCNCCDK8IKBKBCSNK1A1TYRO3
SCHEMBL8598306 0.73 NOS3 (0.39) CCNCCDK8IKBKBBRAFUSP7
SCHEMBL986288 0.72 FYN (0.38) CDK8IKBKBCHUKCSNK1A1TYRO3
SCHEMBL15153064 0.72 CHEK2 (0.36) CSNK1A1TYRO3DYRK1BNUDT1BRAF
SCHEMBL19439176 0.71 CCNC (0.41) CCNCCDK8NOS3NOS2
SCHEMBL20579525 0.71 NOS2 (0.42) CCNCCDK8IKBKBBRAFUSP7
SCHEMBL946827 0.71 MKNK1 (0.47) IKBKBNUDT1
SCHEMBL946838 0.71 MKNK1 (0.38) CCNCCDK8NUDT1
SCHEMBL746436 0.71 CSNK1A1 (0.38) CSNK1A1TYRO3DYRK1BNUDT1

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-20090042905-A1 TRIAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-02-12 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-20090042905-A1 TRIAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR3, GRK3, GPR88 CCNC 4123/4885CDK8 1535/4885IKBKB 3355/4885

“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.