SCHEMBL1781616

SCHEMBL1781616

CCN1CCC(NC(=O)c2cc(F)c(Nc3ncc4c(n3)n(C3CCCC3)c(=O)n4C)cc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 10/20 0.49
TTK P33981 4/20 0.49
CSF1R P07333 2/20 0.49
PTK2 Q05397 1/20 0.49
PLK1 P53350 8/20 0.48
PLK3 Q9H4B4 4/20 0.48
PLK2 Q9NYY3 4/20 0.48
AURKA O14965 2/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
KCNH2 Q12809 2/20 0.46

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
SCHEMBL1785037 0.81 CDK2 (0.56) PRKDCTTKPTK2PLK1AURKA
SCHEMBL4794798 0.79 PLK1 (0.64) PLK1PLK3PLK2
SCHEMBL3548112 0.78 RAD52 (0.60) TTKPLK1PLK3PLK2
SCHEMBL3549528 0.77 PLK1 (0.66) PLK1PLK3PLK2
SCHEMBL1560401 0.77 PLK1 (0.76) PLK1PLK3PLK2
SCHEMBL3540977 0.76 PLK1 (0.65) PLK1PLK3PLK2
SCHEMBL1781821 0.76 TTK (0.59) PRKDCTTKCSF1RPTK2PLK1
SCHEMBL23948470 0.76 PRKDC (0.63) PRKDCTTKCSF1RAURKAKCNH2
SCHEMBL3545697 0.76 PLK1 (0.64) PLK1PLK3PLK2
SCHEMBL1781601 0.75 PRKDC (0.55) PRKDCTTKCSF1RAURKACCNA2

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 1 patent. 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

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 PRKDC 163/4885TTK 4/4885CSF1R 2103/4885

“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.