SCHEMBL1781613

SCHEMBL1781613

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

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.66
AURKA O14965 2/20 0.66
CCNA2 P20248 1/20 0.66
CDK2 P24941 1/20 0.66
PRKDC P78527 14/20 0.65
CSF1R P07333 2/20 0.65
PIK3CA P42336 2/20 0.52
BRD4 O60885 3/20 0.52
LRRK2 Q5S007 3/20 0.52
DCLK1 O15075 2/20 0.52
MAPK7 Q13164 1/20 0.52
KCNH2 Q12809 1/20 0.49

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
SCHEMBL1781086 0.84 TTK (0.73) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781289 0.82 TTK (0.68) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781592 0.81 TTK (0.76) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781441 0.81 TTK (0.73) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1782949 0.81 TTK (0.66) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1782244 0.80 TTK (0.65) TTKAURKACCNA2CDK2PRKDC
SCHEMBL29376473 0.79 TTK (1.00) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1782511 0.79 TTK (0.67) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1782786 0.79 TTK (1.00) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781768 0.79 TTK (0.66) TTKAURKACCNA2CDK2PRKDC

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 TTK 4/4885AURKA 43/4885CCNA2 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.