SCHEMBL1782281

SCHEMBL1782281

CCn1c(=O)n(C2CCCC2)c2nc(Nc3ccc(C(=O)NC)cc3OC)ncc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.54
AURKA O14965 1/20 0.54
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
PRKDC P78527 4/20 0.53
CSF1R P07333 2/20 0.53
PLK1 P53350 11/20 0.50
PLK3 Q9H4B4 7/20 0.50
PLK2 Q9NYY3 5/20 0.50
PRKD3 O94806 3/20 0.49
CLK2 P49760 3/20 0.49
PTK2 Q05397 3/20 0.49
CAMK2G Q13555 3/20 0.49
CAMK2D Q13557 3/20 0.49
PRKD2 Q9BZL6 3/20 0.49
CSNK1G1 Q9HCP0 3/20 0.49
CSNK1G3 Q9Y6M4 3/20 0.49
MAP4K4 O95819 2/20 0.49
PRKCG P05129 2/20 0.49
RPS6KA3 P51812 2/20 0.49

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
SCHEMBL1782949 0.90 TTK (0.66) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781436 0.89 PLK1 (0.64) TTKAURKAPLK1PLK3PLK2
SCHEMBL1781208 0.83 TTK (0.55) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781503 0.81 CDK4 (0.65) TTKAURKACCNA2CDK2LRRK2
SCHEMBL1781289 0.81 TTK (0.68) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781344 0.80 TTK (0.84) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1780819 0.80 PLK1 (0.59) TTKAURKACCNA2CDK2PLK1
SCHEMBL1781489 0.80 TTK (0.57) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1782055 0.79 PLK1 (0.65) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781640 0.79 AURKA (0.69) TTKAURKACCNA2CDK2PLK1

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 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.