SCHEMBL1782006

SCHEMBL1782006

Cn1c(=O)n(C2CCCC2)c2nc(Nc3ccc(-n4cccn4)cc3)ncc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 15/20 0.60
TTK P33981 3/20 0.54
CSF1R P07333 1/20 0.54
AURKA O14965 2/20 0.51
GSK3B P49841 1/20 0.50
CCNA2 P20248 3/20 0.49
CDK2 P24941 3/20 0.49
CCNE2 O96020 2/20 0.49
CDK4 P11802 2/20 0.49
CCND1 P24385 2/20 0.49
CCNE1 P24864 2/20 0.49
CCND2 P30279 2/20 0.49
CCND3 P30281 2/20 0.49
CCNA1 P78396 2/20 0.49
PAK4 O96013 1/20 0.49
PAK1 Q13153 1/20 0.49
PKN1 Q16512 1/20 0.49
KCNH2 Q12809 2/20 0.48
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48

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
SCHEMBL3972875 0.83 CDK4 (0.56) CCNA2CDK2CCNE2CDK4CCND1
SCHEMBL1782576 0.83 CDK4 (0.67) PRKDCTTKCSF1RAURKACCNA2
SCHEMBL5265921 0.82 CDK4 (0.70) CCNA2CDK2CCNE2CDK4CCND1
SCHEMBL1781331 0.82 CDK4 (0.71) PRKDCTTKCSF1RAURKACCNA2
SCHEMBL1781620 0.81 CDK4 (0.68) PRKDCTTKCSF1RAURKACCNA2
SCHEMBL5262216 0.81 CDK4 (0.71) CCNA2CDK2CCNE2CDK4CCND1
SCHEMBL5263585 0.81 CDK4 (0.71) CCNA2CDK2CCNE2CDK4CCND1
SCHEMBL1782804 0.80 PRKDC (0.69) PRKDCTTKCSF1RAURKAGSK3B
SCHEMBL1781558 0.80 PRKDC (0.69) PRKDCTTKCSF1RAURKAGSK3B
SCHEMBL1781852 0.80 CDK4 (0.62) PRKDCTTKCSF1RAURKACCNA2

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.