SCHEMBL974857

SCHEMBL974857

CNc1nccc(-c2cccnc2Oc2ccc(NC(=N)N)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 15/20 0.64
AURKA O14965 11/20 0.64
TPX2 Q9ULW0 8/20 0.64
TEK Q02763 8/20 0.60
KDR P35968 6/20 0.57
LCK P06239 3/20 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
SCHEMBL1265702 0.90 AURKB (0.68) AURKBAURKATPX2TEKKDR
SCHEMBL973140 0.89 AURKB (0.60) AURKBAURKATPX2TEKKDR
SCHEMBL12423990 0.86 TEK (0.69) AURKBAURKATPX2TEKKDR
SCHEMBL1264644 0.85 AURKB (0.69) AURKBAURKATPX2TEKKDR
SCHEMBL1266413 0.85 TEK (0.77) AURKBAURKATPX2TEKKDR
SCHEMBL1265744 0.84 TEK (0.73) AURKBAURKATPX2TEKKDR
SCHEMBL1264901 0.84 TEK (0.70) AURKBAURKATPX2TEKKDR
SCHEMBL580385 0.84 TEK (0.60) AURKBAURKATPX2TEKKDR
SCHEMBL581511 0.84 TEK (0.60) AURKBAURKATPX2TEKKDR
SCHEMBL4825841 0.84 AURKB (0.47) AURKBAURKATPX2TEKKDR

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-7868177-B2 Multi-cyclic compounds and method of use AMGEN INC. (US) 2011-01-11 US disclosed
EP-1994030-B1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2010-08-25 EP disclosed
EP-1994030-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2008-11-26 EP disclosed
US-20070213325-A1 Multi-cyclic compound and method of use AMGEN INC. (US) 2007-09-13 US disclosed
WO-2007100646-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2007-09-07 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-20070213325-A1 Multi-cyclic compound and method of use TIE1, CDK1, CCNB1 AURKB 21/4885AURKA 16/4885TPX2 545/4885

“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.