SCHEMBL1781003

SCHEMBL1781003

CCn1c(=O)n(C2CCCC2)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.56
CDK1 P06493 7/20 0.56
CDK9 P50750 6/20 0.56
PLK1 P53350 1/20 0.54
PLK3 Q9H4B4 1/20 0.54
PLK2 Q9NYY3 1/20 0.54
CCNE1 P24864 8/20 0.51
CCNE2 O96020 1/20 0.51
PRKDC P78527 2/20 0.49
CDK4 P11802 6/20 0.47
CCNA2 P20248 6/20 0.47
CCND1 P24385 6/20 0.47
CCNT1 O60563 5/20 0.47
CCND3 P30281 5/20 0.47
CDK3 Q00526 5/20 0.47
CDK6 Q00534 5/20 0.47
CDK5R1 Q15078 5/20 0.47
CDK5 Q00535 4/20 0.47
STK4 Q13043 7/20 0.47
CDK7 P50613 4/20 0.46

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
SCHEMBL1782930 0.88 CDK2 (0.52) CDK2CDK1CDK9PLK1PLK3
SCHEMBL1781846 0.87 PRKDC (0.62) CDK2CDK1CDK9PLK1PLK3
SCHEMBL1781208 0.79 TTK (0.55) CDK2CCNE1CCNE2PRKDCCDK4
SCHEMBL5634313 0.77 CYP1A2 (0.68) CDK2CDK1CDK9PLK1PLK3
SCHEMBL6808581 0.75 CDK4 (0.73) CDK2CDK1CCNE1CCNE2CDK4
SCHEMBL1781001 0.74 PRKDC (0.73) CDK2PRKDCCCNA2
SCHEMBL1782186 0.74 PRKDC (0.57) CDK2CDK1CDK9CCNE1CCNE2
SCHEMBL22860321 0.73 CDK2 (0.68) CDK2CDK1CDK9CCNE1CCNE2
SCHEMBL29507780 0.73 CDK2 (0.68) CDK2CDK1CDK9CCNE1CCNE2
SCHEMBL11977093 0.73 CDK1 (0.55) CDK2CDK1CDK9PLK1PLK3

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 CDK2 134/4885CDK1 31/4885CDK9 406/4885

“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.