SCHEMBL973539

SCHEMBL973539

CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TEK Q02763 10/20 0.68
AURKB Q96GD4 12/20 0.57
AURKA O14965 8/20 0.55
TPX2 Q9ULW0 5/20 0.55
PDE10A Q9Y233 1/20 0.53
KDR P35968 6/20 0.52
LCK P06239 3/20 0.47

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
SCHEMBL973068 0.87 TEK (0.70) TEKAURKBAURKATPX2PDE10A
SCHEMBL974173 0.86 PDE10A (0.72) TEKAURKBAURKATPX2PDE10A
SCHEMBL974172 0.83 TEK (0.70) TEKAURKBAURKATPX2PDE10A
SCHEMBL974421 0.82 TEK (0.76) TEKAURKBAURKATPX2PDE10A
SCHEMBL972047 0.81 TEK (0.72) TEKAURKBAURKATPX2PDE10A
SCHEMBL972826 0.81 TEK (0.77) TEKAURKBAURKATPX2PDE10A
SCHEMBL974493 0.81 TEK (1.00) TEKAURKBAURKATPX2PDE10A
SCHEMBL974780 0.81 TEK (0.79) TEKAURKBAURKATPX2PDE10A
SCHEMBL975286 0.80 TEK (0.67) TEKAURKBAURKATPX2PDE10A
SCHEMBL973024 0.79 TEK (0.73) TEKAURKBAURKATPX2PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868177-B2 Multi-cyclic compounds and method of use AMGEN INC. (US) 2011-01-11 US claimed
EP-1994030-B1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2010-08-25 EP claimed
US-20070213325-A1 Multi-cyclic compound and method of use AMGEN INC. (US) 2007-09-13 US claimed
EP-1994030-B1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2010-08-25 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-20070213325-A1 Multi-cyclic compound and method of use TIE1, CDK1, CCNB1 TEK 22/4885AURKB 21/4885AURKA 16/4885

“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.