SCHEMBL1782537

SCHEMBL1782537

CN1CCN(c2ccc(Nc3ncc4c(n3)n(C3CCCC3)c(=O)n4C)c(Cl)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.63
TTK P33981 4/20 0.63
CCNA2 P20248 4/20 0.63
AURKA O14965 2/20 0.63
PRKDC P78527 12/20 0.60
CSF1R P07333 3/20 0.60
PIK3CA P42336 3/20 0.59
CDK4 P11802 5/20 0.56
CCND1 P24385 5/20 0.56
CDK6 Q00534 2/20 0.56
KCNH2 Q12809 2/20 0.56
CCNE1 P24864 4/20 0.53
CCND2 P30279 3/20 0.53
CCND3 P30281 3/20 0.53
CCNE2 O96020 3/20 0.53
CCNA1 P78396 2/20 0.53
PAK4 O96013 1/20 0.53
PAK1 Q13153 1/20 0.53
PKN1 Q16512 1/20 0.53
CDK1 P06493 2/20 0.52

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
SCHEMBL1781441 0.90 TTK (0.73) CDK2TTKCCNA2AURKAPRKDC
SCHEMBL1782164 0.87 TTK (0.70) CDK2TTKCCNA2AURKAPRKDC
SCHEMBL27196803 0.86 CDK4 (0.60) CDK2TTKCCNA2AURKACSF1R
SCHEMBL29714305 0.86 CDK4 (0.60) CDK2TTKCCNA2AURKACSF1R
SCHEMBL1781331 0.85 CDK4 (0.71) CDK2TTKCCNA2AURKAPRKDC
SCHEMBL1780670 0.84 TTK (0.62) CDK2TTKCCNA2AURKAPRKDC
SCHEMBL1780907 0.82 TTK (0.63) CDK2TTKCCNA2AURKAPRKDC
SCHEMBL1781666 0.82 TTK (0.60) CDK2TTKCCNA2AURKAPRKDC
SCHEMBL1782511 0.81 TTK (0.67) CDK2TTKCCNA2AURKAPRKDC
SCHEMBL1781503 0.81 CDK4 (0.65) CDK2TTKCCNA2AURKACDK4

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 CDK2 134/4885TTK 4/4885CCNA2 538/4885

“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.