SCHEMBL1782963

SCHEMBL1782963

Cn1c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)c(Cl)c3)ncc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.56
CCND1 P24385 4/20 0.56
CCND2 P30279 3/20 0.56
CCND3 P30281 3/20 0.56
CCNB2 O95067 2/20 0.53
CDK1 P06493 2/20 0.53
CCNB1 P14635 2/20 0.53
CCNB3 Q8WWL7 2/20 0.53
CCNA2 P20248 2/20 0.53
CDK2 P24941 2/20 0.53
CCNE2 O96020 1/20 0.53
CCNE1 P24864 1/20 0.53
CCNA1 P78396 1/20 0.53
PRKDC P78527 13/20 0.53
TTK P33981 2/20 0.53
CSF1R P07333 1/20 0.53
SYK P43405 2/20 0.51
AURKA O14965 1/20 0.50
CDK6 Q00534 1/20 0.50

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
SCHEMBL1781620 0.87 CDK4 (0.68) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6938891 0.82 CDK4 (0.81) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6939295 0.81 CDK4 (0.80) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6943792 0.80 CDK4 (0.68) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6945561 0.80 CDK4 (0.65) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL1782576 0.80 CDK4 (0.67) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL1781331 0.79 CDK4 (0.71) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL1782511 0.79 TTK (0.67) CDK4CCND1CCNA2CDK2PRKDC
SCHEMBL1781852 0.77 CDK4 (0.62) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL1781854 0.76 PRKDC (0.59) CDK4CCND1CCND2CCND3CCNB2

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 CDK4 648/4885CCND1 612/4885CCND2 700/4885

“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.