SCHEMBL1781441

SCHEMBL1781441

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTK P33981 14/20 0.73
AURKA O14965 1/20 0.73
CCNA2 P20248 1/20 0.73
CDK2 P24941 1/20 0.73
CDK4 P11802 1/20 0.69
CCND1 P24385 1/20 0.69
CDK6 Q00534 1/20 0.69
PRKDC P78527 2/20 0.65
CSF1R P07333 1/20 0.65
PIK3CA P42336 1/20 0.59
DAPK3 O43293 1/20 0.58
MARK3 P27448 1/20 0.58
DCLK1 O15075 1/20 0.58
MAPK7 Q13164 1/20 0.58
LRRK2 Q5S007 1/20 0.58
EGFR P00533 2/20 0.57
BTK Q06187 1/20 0.57

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
SCHEMBL1782164 0.97 TTK (0.70) TTKAURKACCNA2CDK2CDK4
SCHEMBL1780907 0.92 TTK (0.63) TTKAURKACCNA2CDK2CDK4
SCHEMBL1782511 0.91 TTK (0.67) TTKAURKACCNA2CDK2CDK4
SCHEMBL1780670 0.91 TTK (0.62) TTKAURKACCNA2CDK2CDK4
SCHEMBL1781503 0.91 CDK4 (0.65) TTKAURKACCNA2CDK2CDK4
SCHEMBL1782537 0.90 CDK2 (0.63) TTKAURKACCNA2CDK2CDK4
SCHEMBL1781892 0.88 CDK4 (0.61) TTKAURKACCNA2CDK2CDK4
SCHEMBL24496112 0.88 CDK4 (0.71) TTKCDK4CCND1CDK6DAPK3
SCHEMBL27196795 0.87 CDK4 (0.70) TTKCCNA2CDK2CDK4CCND1
SCHEMBL1781592 0.86 TTK (0.76) TTKAURKACCNA2CDK2PRKDC

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 TTK 4/4885AURKA 43/4885CCNA2 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.