SCHEMBL1780091

SCHEMBL1780091

COc1cc(C2CCN(C)CC2)ccc1Nc1ncc2c(n1)n(C(C)C)c(=O)n2C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.57
AURKA O14965 1/20 0.57
CCNA2 P20248 1/20 0.57
CDK2 P24941 1/20 0.57
MAPK7 Q13164 1/20 0.55
ALK Q9UM73 4/20 0.53
EGFR P00533 3/20 0.53
TNK2 Q07912 2/20 0.53
INSR P06213 2/20 0.53
IGF1R P08069 1/20 0.53
PTK2 Q05397 2/20 0.52
BRD4 O60885 1/20 0.51
PLK1 P53350 1/20 0.51
NPM1 P06748 1/20 0.49
JAK3 P52333 1/20 0.49
PRKDC P78527 4/20 0.47
CSF1R P07333 2/20 0.47
KCNH2 Q12809 1/20 0.47
FLT4 P35916 1/20 0.47

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
SCHEMBL1781068 0.86 TTK (0.76) TTKAURKACCNA2CDK2ALK
SCHEMBL1781592 0.86 TTK (0.76) TTKAURKACCNA2CDK2MAPK7
SCHEMBL1782276 0.85 EGFR (0.59) TTKAURKACCNA2CDK2MAPK7
SCHEMBL1781156 0.84 TTK (0.70) TTKAURKACCNA2CDK2ALK
SCHEMBL1781041 0.83 BRD4 (0.63) AURKAMAPK7IGF1RPTK2BRD4
SCHEMBL1780904 0.82 EGFR (0.56) TTKAURKACCNA2CDK2MAPK7
SCHEMBL22680786 0.80 MAPK7 (0.58) TTKAURKACCNA2CDK2MAPK7
SCHEMBL1782666 0.79 EGFR (0.51) TTKMAPK7ALKEGFRINSR
SCHEMBL1783588 0.79 LRRK2 (0.53) TTKAURKACCNA2CDK2EGFR
SCHEMBL1782078 0.77 TNK2 (0.53) TTKCCNA2CDK2MAPK7ALK

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.