SCHEMBL1781846

SCHEMBL1781846

Cn1c(=O)n(C2CCCC2)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 11/20 0.62
CDK2 P24941 5/20 0.59
CDK1 P06493 2/20 0.59
CDK9 P50750 1/20 0.59
TTK P33981 3/20 0.57
CSF1R P07333 1/20 0.57
PIK3CA P42336 3/20 0.56
CCNE1 P24864 3/20 0.54
CCNE2 O96020 1/20 0.54
PLK1 P53350 1/20 0.54
PLK3 Q9H4B4 1/20 0.54
PLK2 Q9NYY3 1/20 0.54
AURKA O14965 2/20 0.51
CCNA2 P20248 1/20 0.51
MTOR P42345 2/20 0.51
STK4 Q13043 3/20 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
SCHEMBL1781003 0.87 CDK2 (0.56) PRKDCCDK2CDK1CDK9CCNE1
SCHEMBL1781001 0.86 PRKDC (0.73) PRKDCCDK2TTKCSF1RPIK3CA
SCHEMBL1782186 0.86 PRKDC (0.57) PRKDCCDK2CDK1CDK9TTK
SCHEMBL1782930 0.83 CDK2 (0.52) PRKDCCDK2CDK1CDK9CCNE1
SCHEMBL1782576 0.82 CDK4 (0.67) PRKDCCDK2CDK1TTKCSF1R
SCHEMBL1780821 0.81 PRKDC (0.63) PRKDCCDK2TTKCSF1RPIK3CA
SCHEMBL1782804 0.81 PRKDC (0.69) PRKDCCDK2TTKCSF1RPIK3CA
SCHEMBL1781065 0.81 PRKDC (0.68) PRKDCCDK2TTKCSF1RPIK3CA
SCHEMBL1781558 0.81 PRKDC (0.69) PRKDCCDK2TTKCSF1RPIK3CA
SCHEMBL1781331 0.81 CDK4 (0.71) PRKDCCDK2CDK1CDK9TTK

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
CN-103298814-A 2-Anilinopurin-8-ones as TTK/MPS1 inhibitors for the treatment of proliferative diseases ASTRAZENECA AB 2013-09-11 CN disclosed
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 163/4885CDK2 134/4885CDK1 31/4885

“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.