SCHEMBL1781558

SCHEMBL1781558

Cn1c(=O)n(C2CCCC2)c2nc(Nc3ccc(Oc4ccccc4)cc3)ncc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 12/20 0.69
TTK P33981 4/20 0.64
CSF1R P07333 2/20 0.64
CCNA2 P20248 3/20 0.57
CDK2 P24941 3/20 0.57
AURKA O14965 2/20 0.57
MAPK9 P45984 2/20 0.56
GSK3B P49841 1/20 0.55
PIK3CA P42336 2/20 0.54
MTOR P42345 1/20 0.54
CDK4 P11802 4/20 0.53
CCND1 P24385 4/20 0.53
CCND2 P30279 3/20 0.53
CCND3 P30281 3/20 0.53
FGFR1 P11362 1/20 0.53
FGFR2 P21802 1/20 0.53
FGFR4 P22455 1/20 0.53
FGFR3 P22607 1/20 0.53
MAPK8 P45983 1/20 0.51
MAPK10 P53779 1/20 0.51

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
SCHEMBL1781065 0.86 PRKDC (0.68) PRKDCTTKCSF1RCCNA2CDK2
SCHEMBL1782804 0.86 PRKDC (0.69) PRKDCTTKCSF1RCCNA2CDK2
SCHEMBL1781375 0.85 PRKDC (0.71) PRKDCTTKCSF1RCCNA2CDK2
SCHEMBL1782576 0.81 CDK4 (0.67) PRKDCTTKCSF1RCCNA2CDK2
SCHEMBL1781846 0.81 PRKDC (0.62) PRKDCTTKCSF1RCCNA2CDK2
SCHEMBL1780821 0.80 PRKDC (0.63) PRKDCTTKCSF1RCCNA2CDK2
SCHEMBL1781331 0.80 CDK4 (0.71) PRKDCTTKCSF1RCCNA2CDK2
SCHEMBL1782006 0.80 PRKDC (0.60) PRKDCTTKCSF1RCCNA2CDK2
SCHEMBL1781620 0.80 CDK4 (0.68) PRKDCTTKCSF1RCCNA2CDK2
SCHEMBL1781376 0.78 PRKDC (0.58) PRKDCTTKCSF1RCCNA2CDK2

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 PRKDC 163/4885TTK 4/4885CSF1R 2103/4885

“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.