SCHEMBL1781640

SCHEMBL1781640

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.69
TTK P33981 2/20 0.69
CCNA2 P20248 1/20 0.69
CDK2 P24941 1/20 0.69
PLK1 P53350 14/20 0.65
BRD4 O60885 13/20 0.65
BRDT Q58F21 8/20 0.65
AURKB Q96GD4 1/20 0.65
RAD52 P43351 1/20 0.64
PLK3 Q9H4B4 3/20 0.62
DAPK3 O43293 2/20 0.62
PRKD3 O94806 2/20 0.62
CHEK2 O96017 2/20 0.62
EGFR P00533 2/20 0.62
FES P07332 2/20 0.62
PHKG2 P15735 2/20 0.62
CSNK1D P48730 2/20 0.62
CLK2 P49760 2/20 0.62
NEK2 P51955 2/20 0.62
PTK2 Q05397 2/20 0.62

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
SCHEMBL5921305 0.94 PLK1 (0.64) AURKATTKCCNA2CDK2PLK1
SCHEMBL1781821 0.92 TTK (0.59) AURKATTKCCNA2CDK2PLK1
SCHEMBL1781436 0.92 PLK1 (0.64) AURKATTKPLK1BRD4BRDT
SCHEMBL1781666 0.91 TTK (0.60) AURKATTKCCNA2CDK2PLK1
SCHEMBL1782435 0.90 TTK (0.58) AURKATTKCCNA2CDK2PLK1
SCHEMBL1781171 0.90 TTK (0.60) AURKATTKCCNA2CDK2PLK1
SCHEMBL1780819 0.89 PLK1 (0.59) AURKATTKCCNA2CDK2PLK1
SCHEMBL1782949 0.88 TTK (0.66) AURKATTKCCNA2CDK2PLK1
SCHEMBL1782245 0.88 PLK1 (0.59) AURKATTKCCNA2CDK2PLK1
SCHEMBL1780868 0.88 PLK1 (0.59) AURKATTKCCNA2CDK2PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US disclosed
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 EP disclosed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 AURKA 43/4885TTK 4/4885CCNA2 538/4885

“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.