SCHEMBL1781041

SCHEMBL1781041

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)n(C(C)C)c(=O)n2C

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.63
PLK1 P53350 9/20 0.63
BRDT Q58F21 4/20 0.63
AURKA O14965 1/20 0.60
AURKB Q96GD4 1/20 0.60
LRRK2 Q5S007 3/20 0.60
DCLK1 O15075 2/20 0.60
IGF1R P08069 3/20 0.58
PTK2 Q05397 2/20 0.58
MAPK7 Q13164 1/20 0.58

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 0.87 AURKA (0.69) BRD4PLK1BRDTAURKAAURKB
SCHEMBL1783588 0.87 LRRK2 (0.53) BRD4PLK1BRDTAURKALRRK2
SCHEMBL1780091 0.83 TTK (0.57) BRD4PLK1AURKAIGF1RPTK2
SCHEMBL5921305 0.83 PLK1 (0.64) BRD4PLK1BRDTAURKAAURKB
SCHEMBL27947779 0.82 AURKA (0.64) BRD4PLK1BRDTAURKAAURKB
SCHEMBL4241300 0.82 AURKA (0.64) BRD4PLK1BRDTAURKAAURKB
SCHEMBL1781068 0.82 TTK (0.76) AURKAIGF1R
SCHEMBL1782276 0.81 EGFR (0.59) BRD4AURKALRRK2DCLK1IGF1R
SCHEMBL4234396 0.81 BRD4 (0.59) BRD4PLK1BRDTAURKAAURKB
SCHEMBL1781156 0.80 TTK (0.70) AURKAIGF1R

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 BRD4 3407/4885PLK1 7/4885BRDT 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.