SCHEMBL1782055

SCHEMBL1782055

COc1cc(C(=O)NCCN(C)C)ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 7/20 0.65
BRD4 O60885 3/20 0.65
BRDT Q58F21 3/20 0.65
TTK P33981 4/20 0.59
AURKA O14965 2/20 0.59
CCNA2 P20248 1/20 0.59
CDK2 P24941 1/20 0.59
CCNT1 O60563 1/20 0.58
CDK4 P11802 1/20 0.58
CCND3 P30281 1/20 0.58
CDK9 P50750 1/20 0.58
PRKDC P78527 4/20 0.58
CSF1R P07333 2/20 0.58
MAPK7 Q13164 1/20 0.57
PLK3 Q9H4B4 3/20 0.56
PLK2 Q9NYY3 2/20 0.56
IGF1R P08069 5/20 0.53
PTK2 Q05397 2/20 0.52
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 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
SCHEMBL1780690 0.95 PLK1 (0.60) PLK1BRD4BRDTTTKAURKA
SCHEMBL1782206 0.95 PLK1 (0.59) PLK1BRD4BRDTTTKAURKA
SCHEMBL1783737 0.89 TTK (0.60) PLK1BRD4BRDTTTKAURKA
SCHEMBL1781475 0.88 TTK (0.64) PLK1BRD4BRDTTTKAURKA
SCHEMBL1780549 0.88 TTK (0.59) PLK1BRD4BRDTTTKAURKA
SCHEMBL1781682 0.87 TTK (0.59) PLK1BRD4BRDTTTKAURKA
SCHEMBL1782949 0.87 TTK (0.66) PLK1BRD4BRDTTTKAURKA
SCHEMBL1782244 0.86 TTK (0.65) TTKAURKACCNA2CDK2CDK4
SCHEMBL1782435 0.85 TTK (0.58) PLK1BRD4BRDTTTKAURKA
SCHEMBL1781289 0.85 TTK (0.68) PLK1BRD4BRDTTTKAURKA

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 PLK1 7/4885BRD4 3407/4885BRDT 1615/4885

“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.