SCHEMBL1781892

SCHEMBL1781892

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2CC#N

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.61
CCND1 P24385 1/20 0.61
CDK6 Q00534 1/20 0.61
TTK P33981 16/20 0.58
AURKA O14965 1/20 0.58
CCNA2 P20248 1/20 0.58
CDK2 P24941 1/20 0.58
EGFR P00533 1/20 0.55
DAPK3 O43293 1/20 0.53
MARK3 P27448 1/20 0.53
DCLK1 O15075 1/20 0.52
MAPK7 Q13164 1/20 0.52
LRRK2 Q5S007 1/20 0.52
CSF1R P07333 1/20 0.51
PRKDC P78527 1/20 0.51
JAK2 O60674 1/20 0.51
SRC P12931 1/20 0.51
TNK2 Q07912 1/20 0.51
ALK Q9UM73 1/20 0.51

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
SCHEMBL1781503 0.91 CDK4 (0.65) CDK4CCND1CDK6TTKAURKA
SCHEMBL1781441 0.88 TTK (0.73) CDK4CCND1CDK6TTKAURKA
SCHEMBL1780374 0.87 TTK (0.79) CDK4CCND1CDK6TTKAURKA
SCHEMBL1782164 0.86 TTK (0.70) CDK4CCND1CDK6TTKAURKA
SCHEMBL1780819 0.84 PLK1 (0.59) CDK4TTKAURKACCNA2CDK2
SCHEMBL1780670 0.81 TTK (0.62) CDK4CCND1CDK6TTKAURKA
SCHEMBL24496112 0.81 CDK4 (0.71) CDK4CCND1CDK6TTKEGFR
SCHEMBL1780907 0.81 TTK (0.63) CDK4CCND1CDK6TTKAURKA
SCHEMBL27196767 0.81 NUAK1 (0.77) CDK4CCND1CDK6TTKCCNA2
SCHEMBL27196795 0.81 CDK4 (0.70) CDK4CCND1CDK6TTKCCNA2

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 612/4885CDK6 442/4885

“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.