SCHEMBL1781666

SCHEMBL1781666

CN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)n(C3CCCC3)c(=O)n4C)c(Cl)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.60
AURKA O14965 2/20 0.60
CCNA2 P20248 1/20 0.60
CDK2 P24941 1/20 0.60
PRKDC P78527 5/20 0.55
CSF1R P07333 1/20 0.55
PLK1 P53350 9/20 0.54
BRD4 O60885 9/20 0.54
BRDT Q58F21 6/20 0.54
KCNH2 Q12809 3/20 0.53
AURKB Q96GD4 1/20 0.53
RAD52 P43351 1/20 0.52
PLK3 Q9H4B4 3/20 0.51
DAPK3 O43293 2/20 0.51
PRKD3 O94806 2/20 0.51
CHEK2 O96017 2/20 0.51
EGFR P00533 2/20 0.51
FES P07332 2/20 0.51
PHKG2 P15735 2/20 0.51
CSNK1D P48730 2/20 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
SCHEMBL1781640 0.91 AURKA (0.69) TTKAURKACCNA2CDK2PLK1
SCHEMBL5921305 0.84 PLK1 (0.64) TTKAURKACCNA2CDK2PLK1
SCHEMBL1781821 0.82 TTK (0.59) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781436 0.82 PLK1 (0.64) TTKAURKAPLK1BRD4BRDT
SCHEMBL1782537 0.82 CDK2 (0.63) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1782435 0.81 TTK (0.58) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781171 0.80 TTK (0.60) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781601 0.80 PRKDC (0.55) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1780819 0.80 PLK1 (0.59) TTKAURKACCNA2CDK2PLK1
SCHEMBL1785037 0.79 CDK2 (0.56) 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 2 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

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.